Cortisone (CED0001733)

Record Information
Version1.0
Creation Date2016-05-22 03:39:15 UTC
Update Date2026-05-14 19:44:16 UTC
SynCED IDCED0001733
Secondary Accession Numbers
  • CHEM016643
Identification
Common NameCortisone
ClassSmall Molecule
Description
Cortisone belongs to the hydroxysteroids, a subclass of steroids and steroid derivatives within the organic compounds. This compound has the chemical formula C21H28O5 and an average molecular weight of 360.44 g/mol. Within the broader chemical classification, it is categorized under the superclass of lipids and lipid-like molecules. Cortisone is utilized in several types of plastics, specifically in Polyamide, Low-Density Polyethylene, and High-Density Polyethylene. It has been identified in or released from 32 recorded sources across multiple sectors. In the food, food processing and cookware sector, it is associated with food packaging and the processing of meats, as well as the preparation of vinegar, wine or sparkling wine, and malt. It is found in building and construction materials such as tents or canopies and ceilings, and in textiles, leather and furnishings, including carpets, rugs, and synthetic textiles. Additionally, it is recorded in drinking water and water supply. The compound is present in household cleaning and consumer products, including other smoking requisites, non electric simulated smoking devices, and ash trays. It is also found in electrical and electronic equipment, including batteries, printed circuit boards, capacitors, wires and cables, cell phones, and 10 other sources. Recorded exposure routes for the compound include oral, inhalation, and touch.
Contaminant Type
  • PFAS
Chemical Structure
Synonyms
ValueSource
11-Dehydro-17-hydroxycorticosteroneChEBI
17-Hydroxy-11-dehydrocorticosteroneChEBI
17alpha,21-Dihydroxy-4-pregnene-3,11,20-trioneChEBI
4-Pregnene-17alpha,21-diol-3,11,20-trioneChEBI
CortisonChEBI
Delta(4)-Pregnene-17alpha,21-diol-3,11,20-trioneChEBI
Kendall's compound eChEBI
KortisonChEBI
Pregn-4-en-17alpha,21-diol-3,11,20-trioneChEBI
Reichstein's substance faChEBI
Wintersteiner's compound FChEBI
17a,21-Dihydroxy-4-pregnene-3,11,20-trioneGenerator
17Α,21-dihydroxy-4-pregnene-3,11,20-trioneGenerator
4-Pregnene-17a,21-diol-3,11,20-trioneGenerator
4-Pregnene-17α,21-diol-3,11,20-trioneGenerator
delta(4)-Pregnene-17a,21-diol-3,11,20-trioneGenerator
Δ(4)-pregnene-17α,21-diol-3,11,20-trioneGenerator
Pregn-4-en-17a,21-diol-3,11,20-trioneGenerator
Pregn-4-en-17α,21-diol-3,11,20-trioneGenerator
Δ(4)-pregnene-17a,21-diol-3,11,20-trioneHMDB
AndresonHMDB
Anusol HCHMDB
Balneol-HCHMDB
beta-HCHMDB
ColocortHMDB
Compound eHMDB
CorlinHMDB
CortadrenHMDB
CortandrenHMDB
CortefHMDB
Cortef acetateHMDB
CortisalHMDB
CortisateHMDB
Cortisone acetateHMDB
CortistalHMDB
CortiviteHMDB
CortogenHMDB
CortoneHMDB
CortrilHMDB
DermacortHMDB
DricortHMDB
FlexicortHMDB
FlorinefHMDB
Fludrocortisone acetateHMDB
GlycortHMDB
Hemsol-HCHMDB
Hi-corHMDB
IncortinHMDB
Kendall'S compoundHMDB
LocoidHMDB
Locoid lipocreamHMDB
Micort-HCHMDB
Nogenic HCHMDB
Orabase hcaHMDB
PandelHMDB
Prestwick_132HMDB
Reichstein faHMDB
ScherosonHMDB
Solu-cortefHMDB
Stie-cortHMDB
TexacortHMDB
WestcortHMDB
AdresonHMDB
Cortone acetateHMDB
17-Hydroxy-3,11,20-trioxopregn-4-en-21-yl acetateHMDB
Chemical FormulaC21H28O5
Average Molecular Mass360.444 g/mol
Monoisotopic Mass360.194 g/mol
CAS Registry Number53-06-5
IUPAC Name(1S,2R,10S,11S,14R,15S)-14-hydroxy-14-(2-hydroxyacetyl)-2,15-dimethyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadec-6-ene-5,17-dione
Traditional Name(1S,2R,10S,11S,14R,15S)-14-hydroxy-14-(2-hydroxyacetyl)-2,15-dimethyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadec-6-ene-5,17-dione
SMILES[H][C@@]12CC[C@](O)(C(=O)CO)[C@@]1(C)CC(=O)[C@@]1([H])[C@@]2([H])CCC2=CC(=O)CC[C@]12C
InChI IdentifierInChI=1S/C21H28O5/c1-19-7-5-13(23)9-12(19)3-4-14-15-6-8-21(26,17(25)11-22)20(15,2)10-16(24)18(14)19/h9,14-15,18,22,26H,3-8,10-11H2,1-2H3/t14-,15-,18+,19-,20-,21-/m0/s1
InChI KeyMFYSYFVPBJMHGN-ZPOLXVRWSA-N
Chemical Taxonomy
Description Belongs to the class of organic compounds known as 21-hydroxysteroids. These are steroids carrying a hydroxyl group at the 21-position of the steroid backbone.
KingdomOrganic compounds
Super ClassLipids and lipid-like molecules
ClassSteroids and steroid derivatives
Sub ClassHydroxysteroids
Direct Parent21-hydroxysteroids
Alternative Parents
Substituents
  • Progestogin-skeleton
  • 21-hydroxysteroid
  • Pregnane-skeleton
  • 20-oxosteroid
  • 3-oxo-delta-4-steroid
  • 3-oxosteroid
  • 17-hydroxysteroid
  • Oxosteroid
  • 11-oxosteroid
  • Delta-4-steroid
  • Cyclohexenone
  • Alpha-hydroxy ketone
  • Cyclic alcohol
  • Tertiary alcohol
  • Cyclic ketone
  • Ketone
  • Alcohol
  • Hydrocarbon derivative
  • Organic oxide
  • Carbonyl group
  • Organic oxygen compound
  • Organooxygen compound
  • Primary alcohol
  • Aliphatic homopolycyclic compound
Molecular FrameworkAliphatic homopolycyclic compounds
External Descriptors
Biological Properties
StatusDetected and Not Quantified
OriginNot Available
Cellular LocationsNot Available
Biofluid LocationsNot Available
Tissue LocationsNot Available
ApplicationsNot Available
Biological Roles
Chemical RolesNot Available
Organoleptic EffectsNot Available
Physical Properties
StateNot Available
AppearanceNot Available
Experimental Properties
PropertyValue
Melting PointNot Available
Boiling PointNot Available
SolubilityNot Available
Predicted Properties
PropertyValueSource
Water Solubility0.14 g/LALOGPS
logP1.98ALOGPS
logP1.66ChemAxon
logS-3.4ALOGPS
pKa (Strongest Acidic)12.58ChemAxon
pKa (Strongest Basic)-3.3ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count5ChemAxon
Hydrogen Donor Count2ChemAxon
Polar Surface Area91.67 ŲChemAxon
Rotatable Bond Count2ChemAxon
Refractivity96.47 m³·mol⁻¹ChemAxon
Polarizability38.95 ųChemAxon
Number of Rings4ChemAxon
BioavailabilityYesChemAxon
Rule of FiveYesChemAxon
Ghose FilterYesChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleNoChemAxon
Spectra
Spectra
Spectrum TypeDescriptionSplash KeyDeposition DateView
GC-MSGC-MS Spectrumsplash10-00kf-2910000000-da435cee921dd7b9f8e6Not AvailableView Spectrum
GC-MSGC-MS Spectrumsplash10-00kf-2910000000-da435cee921dd7b9f8e6Not AvailableView Spectrum
Predicted GC-MSPredicted GC-MS Spectrumsplash10-05ai-5879000000-d8ce750671bf51b487e2Not AvailableView Spectrum
Predicted GC-MSPredicted GC-MS Spectrumsplash10-0f79-2918800000-ab308a6a5023c34bc22fNot AvailableView Spectrum
Predicted GC-MSPredicted GC-MS SpectrumNot AvailableNot AvailableView Spectrum
Predicted GC-MSPredicted GC-MS SpectrumNot AvailableNot AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-03di-0009000000-5d34de066e82cc9f0a41Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-03di-0900000000-24ec04976da03c3f9c77Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-0fdo-4900000000-d0880bfc6f3d80e4aa72Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-03di-3940000000-16be8720b1c49cea9b06Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-004i-0009000000-6c22c083c2dfab97a299Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-004i-0109000000-48c96b3d1471c5cd6171Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-002r-0914000000-2466a9146383b4265e42Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-000i-0900000000-214430a00501054cc774Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-059j-1900000000-0e23516e07f0baf74c79Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-0abj-1900000000-ad0282ab7188d9ec3dc1Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-0aba-3900000000-e36e464b157b3e6159f1Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-0a4j-5900000000-fe9092d76099e1e70a4eNot AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-0aou-6900000000-1b218b97a890ac7e8f45Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-03fr-0049000000-3bd424d473bdadd2b9b4Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-03di-0039000000-fd181dfb87e1cbb8ab6fNot AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-03di-0049000000-7633496a1a53bda21707Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-004i-0009000000-59db5e627634e4be3907Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-004i-0009000000-9781e204df305d722d2dNot AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-004i-0009000000-0b5e40226163a1a334dbNot AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-004i-0009000000-4c17080e851c04168513Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-004i-0009000000-1f757bd647033f35ce8bNot AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-03di-0049000000-f6be4039966fcc0fae88Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-03di-0009000000-168dd290e0b6d2c0283dNot AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-03di-0859000000-17c61fb5c61e802e9cf3Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-03di-1930000000-d8126b5c70edb9054d9bNot AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-08mm-2910000000-8633b075ca01496d1d51Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-0597-4910000000-870c02c495b7e43eb832Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-052g-5900000000-4f705736bd665f2e1933Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-05oy-7900000000-0c9c65ca4c7b4f8251ecNot AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-016u-9800000000-c3e7128354f6569b7337Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-016u-9700000000-1bf0707cdc0a5b2c81c7Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-03di-1920000000-5811b59a6f57222762d7Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-06xw-2910000000-84fec77617e1b7a1648bNot AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-03dl-0596000000-e0abadaf09054d046b08Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-03xu-0595000000-4f8d30df506ea649fc04Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-03xu-0596000000-4c4ea8a5e8c5c5dc7d93Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-03xu-0596000000-f71bb473cec123157b16Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-03di-0329000000-b205426a466686009778Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-03di-3940000000-16be8720b1c49cea9b06Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-03di-1920000000-5811b59a6f57222762d7Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-06xw-2910000000-84fec77617e1b7a1648bNot AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-03dl-0596000000-e0abadaf09054d046b08Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-03xu-0595000000-4f8d30df506ea649fc04Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-000i-0900000000-59d001107d09780aff69Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-06xw-2910000000-84fec77617e1b7a1648bNot AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-000i-0902000000-f729f441a604becaea35Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-03di-0945000000-3f256d4cd2e164f4b244Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-03di-0009000000-51b267cafcf5ac50329cNot AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-004i-0109000000-6b31c5db8c3a970347a6Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-03dl-0596000000-b953b612d7dddd425f83Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-059j-1900000000-a302870036d68dfe98abNot AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-004i-0009000000-6213efb84f9e806f7f4fNot AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-08gj-3910000000-0c9c59f8c179dcd2d56eNot AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-000i-0900000000-e9773ca154b0acb0bc40Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-059j-1900000000-126188f56ce7f62e80b7Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-03di-0009000000-17d6a33cb09813f5b8b9Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-03xu-0595000000-58f838dafeb1b78a4cb4Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-0597-4900000000-4c38e8b1936b1ab751dbNot AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-004i-0109000000-fbbf5d50463f3807c866Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-004i-0009000000-dcc7735a01db354fbee1Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-000i-0900000000-516ac17bca421f3f595aNot AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-004i-0009000000-dc679aa392622908b268Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-03di-1920000000-7965700786c8dcda982dNot AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-08mm-2910000000-280e26aee85ad6a2fcbdNot AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-03di-0009000000-3c11cbd9cd90a6188beaNot AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-004i-0009000000-7cc98467a9071b050b0cNot AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-03di-0957000000-eb7fb25f8ad800b6f7b0Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-0bu3-3910000000-b8fffd1380bf04ce509bNot AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-004i-0209000000-8b803156be632fc00ed0Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-03di-1912000000-5a7b97ff670b515f8e22Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-03di-1920000000-3231565a460efd20a875Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-000i-2910000000-1efc925f99887e6d9d9eNot AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-004i-0009000000-39ed69e5cf4cd925d619Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-002r-1933000000-da0e3197e9fb0393fc31Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-004i-0339000000-7e5d5b2120c125b19442Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-004i-0109000000-0e7e018fd8d5d28e69d7Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-03di-0930000000-f9c05195ab7c19c57f3bNot AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-000i-1900000000-48895be280d08f97a343Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-08mj-2910000000-c8cb0601e272ac0cc40bNot AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-03di-0009000000-3d811d4a40db73ddb141Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-03di-0930000000-c78b3bb4b632fb3d672bNot AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-03dj-0920000000-2ef905cca1f1d1ed317aNot AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-03di-0947000000-55ed56046e69931ad5aaNot AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-03di-0009000000-00b9b268c845922dc232Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-03di-0109000000-28f5ee2b903d850a2b72Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-03di-0952000000-73066dbfed8c78b54417Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-03di-0749000000-70f4bbc7dc0eb2467c89Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-03di-0009000000-7c19802e90ff4fb4b416Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-03di-0948000000-2f54d975c61005e2b5d9Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-03di-0009000000-e21040e3f41a4dc062e1Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-03di-0009000000-195d7984546a59ca09efNot AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-002r-0709000000-f4606b8c9e1ff3f58940Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-000i-0900000000-721d77ab40174f4cc157Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-03di-0009000000-2732c20aba6a9a9ee808Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-03di-0009000000-77b059d2975e3e6a9e06Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-01oy-4920000000-8e62ccb877695b4edcc3Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-00or-5900000000-5d1334301db5943a7f4cNot AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-014i-9000000000-ce8bfaab9167ccf5225fNot AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-004i-0109000000-afbd8fd1815c3c103096Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-004i-0019000000-35939c4885a3a9a90006Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-03di-0509000000-5a36937792f2f6c93e64Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-03di-0009000000-98d0958f10445a3d668fNot AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-0abj-2900000000-13fe90dc54f396462734Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-002r-0914000000-835f593cbc053210be04Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-03dl-0009000000-946472abc72d41b1633cNot AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-003u-0149000000-efb3f94efcbdfc468859Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-0a5j-2392000000-d014016e46f2ae8b1bd1Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-0a4i-0009000000-1c4a8c3698ff1bfa2bd9Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-0pb9-2029000000-82b546174619108311f8Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-0ab9-8093000000-47f7996c84edb1324aadNot AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-03di-0009000000-4169cd23ca835bc177c6Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-03di-0913000000-0fca928f7fc27f5ca498Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-0bt9-6890000000-7a254c922c90ec30c24aNot AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-004i-0009000000-3996a3ded4063dcc3e62Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-0ufr-1029000000-f2f195e021aa589390cdNot AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-0zgv-1092000000-7a0d08c45e733b51a589Not AvailableView Spectrum
1D NMR13C NMR Spectrum (1D, H2O, predicted)Not AvailableNot AvailableView Spectrum
1D NMR1H NMR Spectrum (1D, H2O, predicted)Not AvailableNot AvailableView Spectrum
Toxicity Profile
Toxicity Values
Toxicity ValueOrganismDose DescriptorRoute of ExposurePredicted or ExperimentalToxicity RatingReference
3969.0 Log mg/kg [2200:7100]RatLD50oralpredictedNot AvailableNot Available
Toxicity / Toxin ClassNot Available
Mechanism of ToxicityNot Available
Carcinogenicity (IARC Classification)Not Available
Minimum Risk LevelNot Available
SymptomsNot Available
TreatmentNot Available
Health Effects
Health EffectRelationshipDirectionDescriptionReference
osteoporosisAssociated With?Not AvailableA disorder characterized by reduced bone mass, with a decrease in cortical thickness and in the number and size of the trabeculae of cancellous bone (but normal chemical composition), resulting in increased fracture incidence. (NCI CTCAE)PMC7716604
asthmaNot AvailableNot AvailableA bronchial disease that is characterized by chronic inflammation and narrowing of the airways, which is caused by a combination of environmental and genetic factors. The disease has symptom recurring periods of wheezing (a whistling sound while breathing), has symptom chest tightness, has symptom shortness of breath, has symptom mucus production and has symptom coughing. The symptoms appear due to a variety of triggers such as allergens, irritants, respiratory infections, weather changes, exercise, stress, reflux disease, medications, foods and emotional anxiety. (DO)PMC10893528
rheumatoid arthritisHas Therapeutic Effect OnNot AvailableAn arthritis that is an autoimmune disease which attacks healthy cells and tissue located in joint. (DO)PMC11613824
rheumatoid arthritisNot AvailableNot AvailableAn arthritis that is an autoimmune disease which attacks healthy cells and tissue located in joint. (DO)PMC11998012 , PMC12525740
obesityAssociated With?decreaseA disorder characterized by having a high amount of body fat. (NCI CTCAE)PMC11176323
allergic diseaseNot AvailableNot AvailableAllergic diseases, also known as allergies, are a number of conditions caused by hypersensitivity of the immune system to typically harmless substances in the environment. These diseases include hay fever, food allergies, atopic dermatitis, allergic asthma, and anaphylaxis. Symptoms may include red eyes, an itchy rash, sneezing, a runny nose, shortness of breath, or swelling. Common allergens include pollen and certain foods. Metals and other substances may also cause allergies. Food, insect stings, and medications are common causes of severe allergic reactions. Allergies can be due to both genetic and environmental factors. The underlying mechanism involves immunoglobulin E antibodies (IgE) binding to an allergen and then to a receptor on mast cells or basophils where it triggers the release of inflammatory chemicals such as histamine. Allergies are among the most common conditions in the world. In the developed world, about 20% of people are affected by allergic rhinitis, about 6% of people have at least one food allergy, and about 20% have atopic dermatitis at some point in time.PMC11495266
inflammatory diseaseHas Therapeutic Effect OnNot AvailableNot AvailablePMC12525740
Rheumatic FeverNot AvailableNot AvailableNot AvailablePMC12525740
Knee painNot AvailableNot AvailableNot AvailablePMC5641666
Lichen Sclerosus et AtrophicusNot AvailableNot AvailableNot AvailablePMC7158195
Opportunistic infectionAssociated With?Not AvailableNot AvailablePMC6559788
Exposure Sources
Source IDSourceSectorReference
CEDs000007Pesticides?Pesticides are synthetic chemicals designed to prevent, destroy, or control pests that threaten crops and agricultural productivity.Agriculture & land managementNot Available
CEDs000010Insecticides?Insecticides are synthetic chemicals designed to control or eliminate insect pests that threaten crops and other agricultural products.Agriculture & land managementPubChem
CEDs000115Drinking water?Drinking water can be a medium for synthetic chemical contamination, often originating from various industrial processes and agricultural practices.Drinking water & water supplyPMC12858585
CEDs000120Wires and cables?Wires and cables are integral components in the transmission of electrical power and signals.Electrical & Electronic EquipmentNot Available
CEDs000121Printed circuit boards?Printed circuit boards (PCBs) are essential components in the manufacturing of electronic devices, serving as the backbone for electrical connections and circuit pathways.Electrical & Electronic EquipmentNot Available
CEDs000125Batteries?Batteries are devices that store and release electrical energy through electrochemical reactions.Electrical & Electronic EquipmentNot Available
CEDs000130Semiconductors?Semiconductors are materials that possess electrical conductivity between that of conductors and insulators, making them essential for various electronic applications, including transistors, diodes, and integrated circuits.Electrical & Electronic EquipmentNot Available
CEDs000138Lubricants?Lubricants are synthetic or petroleum-derived substances used to reduce friction between surfaces in machinery and equipment, enhancing operational efficiency and longevity.Energy, oil & gasNot Available
CEDs000147Food packaging?Food packaging often utilizes synthetic chemicals, such as plastics and coatings, to enhance durability, moisture resistance, and shelf life.Food, food processing & cookwareNot Available
CEDs000174Lubricants?Lubricants are synthetic or petroleum-based substances used to reduce friction and wear between moving parts in machinery and equipment.Industrial manufacturing & chemical processingNot Available
CEDs000181Ballast water?Ballast water, taken on by ships to maintain stability and balance, often contains a diverse array of microorganisms, including bacteria, viruses, and plankton.Marine, shipping & aquaculturePubChem
CEDs000182Bilge water?Bilge water is a byproduct generated from the accumulation of water in the lowest part of a ship's hull, which may include a mixture of seawater, oil, fuel residues, and various contaminants.Marine, shipping & aquaculturePubChem
CEDs000233Brushes?Brushes used in personal care and cosmetics can be a source of synthetic chemical contamination due to the materials and coatings used in their manufacturing.Personal care & cosmeticsPubChem
CEDs000234Medical devices?Medical devices often incorporate synthetic chemicals in their manufacturing processes, which can contribute to contamination in healthcare settings.Healthcare, pharmaceuticals & veterinary productsNot Available
CEDs000451Carpets and Rugs?Carpets and rugs are commonly manufactured using synthetic fibers such as nylon, polyester, and polypropylene, which can be derived from petrochemical sources.Textiles, leather & furnishingsNot Available
CEDs000454Synthetic textiles?Synthetic textiles are materials derived from man-made fibers, such as polyester, nylon, and acrylic, which are produced through chemical processes involving petrochemicals.Textiles, leather & furnishingsNot Available
CEDs000490Personal care & cosmeticsNot Available
CEDs000492Cell phones?Cell phones contain a variety of synthetic chemicals and materials, including plastics, metals, and glass, which can contribute to environmental contamination.Electrical & Electronic EquipmentNot Available
CEDs000493Capacitors?Capacitors are electronic components that store and release electrical energy, often using dielectric materials that can include synthetic chemicals.Electrical & Electronic EquipmentNot Available
CEDs000495Ceilings?Ceilings in built environments can be a source of synthetic chemical contamination due to the materials used in their construction and finishes.Building & ConstructionPubChem
CEDs000503Tents Or Canopies?Tents and canopies used in various applications can be a source of synthetic chemical contamination primarily due to the materials from which they are made.Building & ConstructionPubChem
CEDs000506Antennas?Antennas, commonly used in communication technologies, can be a source of synthetic chemical contamination through the materials and coatings used in their construction.Electrical & Electronic EquipmentPubChem
CEDs000511Conductors Or Conductive Bodies Characterised By The Conductive Materials?Conductors, or conductive bodies, are materials that allow the flow of electrical current, typically made from metals such as copper, aluminum, or silver.Electrical & Electronic EquipmentPubChem
CEDs000514Discharge Lamps?Discharge lamps, including fluorescent and high-intensity discharge (HID) lamps, are commonly used for lighting applications due to their energy efficiency and brightness.Electrical & Electronic EquipmentPubChem
CEDs000516Electric Hearing Aids?Electric hearing aids are small electronic devices designed to amplify sound for individuals with hearing loss.Electrical & Electronic EquipmentPubChem
CEDs000518Electrically Stimulated Smoking Devices?Electrically stimulated smoking devices, commonly known as e-cigarettes or vape pens, utilize electrical components to heat a liquid solution, often containing nicotine, flavorings, and other additives, to produce an aerosol for inhalation.Electrical & Electronic EquipmentPubChem
CEDs000519Electrodes?Electrodes, used in various electrical and electronic applications, can be a source of synthetic chemical contamination due to the materials from which they are constructed and the processes involved in their manufacturing.Electrical & Electronic EquipmentPubChem
CEDs000520Emergency Protective Devices?Emergency protective devices, such as circuit breakers and surge protectors, are essential components in electrical systems designed to prevent damage from overcurrent and surges.Electrical & Electronic EquipmentPubChem
CEDs000524Hybrid Capacitors?Hybrid capacitors are energy storage devices that combine the properties of electrolytic and supercapacitors, utilizing a combination of electrochemical principles to achieve higher energy density and power density.Electrical & Electronic EquipmentPubChem
CEDs000527Magnets?Magnets, commonly used in various electrical and electronic applications, can be a source of synthetic chemical contamination due to the materials used in their production.Electrical & Electronic EquipmentPubChem
CEDs000530Radio Transmission Systems?Radio transmission systems utilize a variety of synthetic chemicals in their manufacturing and maintenance processes.Electrical & Electronic EquipmentPubChem
CEDs000537Television Systems?Television systems can be a source of synthetic chemical contamination due to the various materials and components used in their manufacture and operation.Electrical & Electronic EquipmentPubChem
CEDs000538Thin Magnetic Films?Thin magnetic films are layers of magnetic material ranging from a few nanometers to several micrometers in thickness, commonly used in applications such as magnetic sensors, data storage devices, and electronic components.Electrical & Electronic EquipmentPubChem
CEDs000539Video Games?Video games, through their production and disposal processes, can be a source of synthetic chemical contamination.Electrical & Electronic EquipmentPubChem
CEDs000544Fermentation Processes For Beer?Fermentation processes for beer involve the conversion of sugars into alcohol and carbon dioxide by yeast.Food, food processing & cookwarePubChem
CEDs000545Food Preservation?Food preservation often involves the use of synthetic chemicals, such as preservatives, flavor enhancers, and color additives, to extend shelf life and enhance the sensory qualities of food products.Food, food processing & cookwarePubChem
CEDs000547Preparation Of Malt?Malt preparation involves the germination and drying of cereal grains, primarily barley, to produce malt for brewing and food products.Food, food processing & cookwarePubChem
CEDs000548Preparation Of Vinegar?Vinegar is produced through the fermentation of ethanol by acetic acid bacteria, resulting in a solution that typically contains 4-8% acetic acid.Food, food processing & cookwarePubChem
CEDs000549Preparation Of Wine Or Sparkling Wine?The preparation of wine or sparkling wine involves various stages, including fermentation, aging, and bottling, which can introduce potential sources of synthetic chemical contamination.Food, food processing & cookwarePubChem
CEDs000552Processing Meats?Processing meats can lead to synthetic chemical contamination primarily through the use of additives and preservatives.Food, food processing & cookwarePubChem
CEDs000554Ash Trays?Ash trays, commonly used for the disposal of cigarette butts and ash, can be a source of synthetic chemical contamination due to the presence of various toxic compounds in tobacco smoke.Household cleaning & consumer productsPubChem
CEDs000555Bleaching Agents?Bleaching agents are chemical substances used to whiten or lighten materials, often employed in various cleaning products for their stain removal and disinfecting properties.Household cleaning & consumer productsPubChem
CEDs000556Cigar Cigarettes?Cigar cigarettes are a source of synthetic chemical contamination due to the combustion of various tobacco blends and additives.Household cleaning & consumer productsPubChem
CEDs000559Non Electric Simulated Smoking Devices?Non-electric simulated smoking devices, often designed to mimic the experience of smoking without combustion, can be sources of synthetic chemical contamination due to the materials and chemicals used in their construction and operation.Household cleaning & consumer productsPubChem
CEDs000560Other Smoking Requisites?Other smoking requisites, including items such as lighters, matches, and rolling papers, can introduce synthetic chemical contamination through various components and additives.Household cleaning & consumer productsPubChem
CEDs000561Perfumes Within Detergents And Soaps?Perfumes within detergents and soaps are synthetic fragrance compounds added to enhance the sensory experience of cleaning products.Household cleaning & consumer productsPubChem
CEDs000563Soap Detergents?Soap detergents are synthetic surfactants designed to enhance the cleaning efficacy of water by reducing surface tension, allowing for better interaction with dirt and grease.Household cleaning & consumer productsPubChem
CEDs000569Tobacco Smoke Filters?Tobacco smoke filters are designed to reduce the inhalation of harmful substances in cigarette smoke, including tar and other particulate matter.Household cleaning & consumer productsPubChem
CEDs000579Manufacture Of Iron Or Steel?The manufacture of iron or steel involves various processes, including smelting, refining, and alloying, which can result in the release of synthetic chemicals and contaminants.Industrial manufacturing & chemical processingPubChem
CEDs000580Manufacture Preparation Of Tobacco Products?The manufacture and preparation of tobacco products involve various processes that can result in the introduction of synthetic chemicals into the environment.Industrial manufacturing & chemical processingPubChem
CEDs000581Paper Making Machines?Paper making machines utilize various synthetic chemicals throughout the production process, including additives, coatings, and bleaching agents.Industrial manufacturing & chemical processingPubChem
CEDs000583Anchoring Equipment?Anchoring equipment, commonly used in marine applications, can be a source of synthetic chemical contamination due to the materials and coatings utilized in their manufacturing.Marine, shipping & aquaculturePubChem
CEDs000596Acaricides?Acaricides are synthetic chemicals specifically designed to target and control mite populations that can damage crops and plants.Agriculture & land managementPubChem
CEDs000600Herbicides And Algicides?Herbicides and algicides are synthetic chemicals primarily used to control unwanted plants and algae in various environments.Agriculture & land managementPubChem
CEDs000603Nematocides?Nematocides are synthetic chemicals specifically designed to control nematodes, which are microscopic roundworms that can cause significant damage to crops and plants.Agriculture & land managementPubChem
CEDs000605Pest Repellants?Pest repellents, often formulated from synthetic chemicals, are widely used to protect crops from insect infestations and other pests.Agriculture & land managementPubChem
CEDs000606Plant Growth Regulators?Plant Growth Regulators (PGRs) are synthetic chemicals designed to influence the growth and development of plants.Agriculture & land managementPubChem
CEDs000609Aftershave?Aftershave is a grooming product typically used to soothe and protect the skin following shaving.Personal care & cosmeticsPubChem
CEDs000610Aftersun Products?Aftersun products are designed to soothe and hydrate the skin after sun exposure, often containing various synthetic chemicals such as emollients, preservatives, and fragrances.Personal care & cosmeticsPubChem
CEDs000611Anti Perspirants Or Body Deoderants?Antiperspirants and body deodorants commonly contain synthetic chemicals such as aluminum compounds, parabens, and synthetic fragrances.Personal care & cosmeticsPubChem
CEDs000613Depilatories?Depilatories are products designed to remove unwanted hair through the application of synthetic chemicals that break down the protein structure of hair, facilitating its removal.Personal care & cosmeticsPubChem
CEDs000614Essential Oils Or Perfumes?Essential oils and perfumes are complex mixtures of volatile compounds derived from natural or synthetic sources, commonly used for their aromatic properties.Personal care & cosmeticsPubChem
CEDs000615Eye Makeup Products?Eye makeup products, including mascaras, eyeliners, and eyeshadows, often contain a variety of synthetic chemicals such as pigments, preservatives, and film-forming agents.Personal care & cosmeticsPubChem
CEDs000616Face Mask Cosmetics?Face mask cosmetics often contain a variety of synthetic chemicals, including preservatives, emulsifiers, and fragrances, which can contribute to chemical contamination.Personal care & cosmeticsPubChem
CEDs000617Lip Care Products?Lip care products, including lipsticks, balms, and glosses, often contain a variety of synthetic chemicals such as parabens, phthalates, and synthetic fragrances.Personal care & cosmeticsPubChem
CEDs000618Lip Makeup Products?Lip makeup products, such as lipsticks, lip glosses, and lip liners, often contain a variety of synthetic chemicals, including pigments, preservatives, and emollients.Personal care & cosmeticsPubChem
CEDs000619Manicure Pedicure?Manicure and pedicure procedures often involve the use of various synthetic chemicals, including solvents, nail polishes, and nail adhesives.Personal care & cosmeticsPubChem
CEDs000630Toys?Toys, particularly those made from synthetic materials such as plastics, can be a source of chemical contamination due to the presence of various additives and compounds used in their production.Recreation & sports surfacesPubChem
CEDs000632Apparel?Apparel production often involves the use of various synthetic chemicals, including dyes, finishing agents, and preservatives.Textiles, leather & furnishingsPubChem
CEDs000634Buckles?Buckles, commonly used as fasteners in clothing, accessories, and furniture, can be a source of synthetic chemical contamination due to the materials and coatings employed in their production.Textiles, leather & furnishingsPubChem
CEDs000640Embroidering And Tufting?Embroidering and tufting processes often involve the use of synthetic chemicals such as dyes, adhesives, and finishing agents.Textiles, leather & furnishingsPubChem
CEDs000642Footwear?Footwear production often involves the use of various synthetic chemicals, such as adhesives, dyes, and treatments, which can contribute to environmental contamination.Textiles, leather & furnishingsPubChem
CEDs000647Multicolour Dyeing?Multicolour dyeing involves the application of multiple synthetic dyes to textiles and other materials to achieve vibrant, diverse color patterns.Textiles, leather & furnishingsPubChem
CEDs000650Purses Luggage Hand Bags?Purses, luggage, and handbags are often manufactured using synthetic materials such as polyvinyl chloride (PVC), polyurethane, and various types of nylon.Textiles, leather & furnishingsPubChem
CEDs000651Purses Money Bags Wallets?Purses, money bags, and wallets are often manufactured using synthetic materials, including plastics, polyurethanes, and various treated fabrics.Textiles, leather & furnishingsPubChem
CEDs000655Slide Fasteners?Slide fasteners, commonly known as zippers, are mechanical devices used to join two edges of fabric or other materials.Textiles, leather & furnishingsPubChem
CEDs000662Yarns Or Threads?Yarns or threads used in textiles can be a source of synthetic chemical contamination due to the production processes and treatments they undergo.Textiles, leather & furnishingsPubChem
CEDs000665Fire Extinguishers?Fire extinguishers contain various synthetic chemicals designed to suppress flames and prevent the spread of fire.Fire suppression systems & agentsPubChem
CEDs000671Airplanes And Helicopters?Airplanes and helicopters are significant sources of synthetic chemical contamination primarily through the use of aviation fuels, lubricants, and de-icing agents.Aviation & AerospacePubChem
CEDs000673Unmanned Aerial Vehicles?Unmanned Aerial Vehicles (UAVs), commonly known as drones, utilize various synthetic chemicals in their manufacturing, operation, and maintenance processes.Aviation & AerospacePubChem
CEDs000678Nitrogenous Fertilisers?Nitrogenous fertilizers are synthetic chemical compounds primarily used to enhance plant growth by supplying essential nitrogen, a crucial nutrient for photosynthesis and protein synthesis.Agriculture & land managementPubChem
CEDs000679Phosphatic Fertilisers?Phosphatic fertilizers are synthetic chemical products primarily composed of phosphorus, which is essential for plant growth.Agriculture & land managementPubChem
CEDs000685Ceramics?Ceramics can be a source of synthetic chemical contamination through various additives and processing agents used in their production.Building & ConstructionPubChem
CEDs000686Clay Wares?Clay wares are ceramic products made from natural clay, often utilized in various construction applications such as tiles, bricks, and sanitary ware.Building & ConstructionPubChem
CEDs000688Glass Coatings?Glass coatings are synthetic chemical formulations applied to glass surfaces to enhance properties such as durability, UV resistance, and aesthetic appeal.Building & ConstructionPubChem
CEDs000693Silica Glass?Silica glass, primarily composed of silicon dioxide (SiO2), is widely used in various applications, including windows, glass facades, and insulation materials.Building & ConstructionPubChem
CEDs000696Nanotechnology?Nanotechnology involves the manipulation of materials at the molecular or atomic level, typically within the range of 1 to 100 nanometers.Industrial manufacturing & chemical processingPubChem
CEDs000698Jewellery?Jewellery production often involves the use of various synthetic chemicals during the extraction and processing of metals.Mining & metal processingPubChem
CEDs000727Printing Machines Or Presses?Printing machines or presses commonly utilize synthetic chemicals such as inks, solvents, and cleaning agents.Paper, pulp & fiber productsPubChem
CEDs000730Contact Lens Cases?Contact lens cases are small containers designed to store contact lenses in a sterile environment, typically made from various synthetic materials including plastics such as polypropylene or polycarbonate.Healthcare, pharmaceuticals & veterinary productsPubChem
CEDs000734Coating Compositions?Coating compositions, which include paints, sealants, and varnishes, are formulated with a variety of synthetic chemicals such as solvents, resins, pigments, and additives.Building & ConstructionPubChem
CEDs000735Explosives?Explosives are chemical compounds or mixtures designed to undergo rapid decomposition, releasing energy in the form of gas and heat.Defense & military infrastructurePubChem
CEDs000738Cooling Circuit Water?Cooling circuit water is utilized in various industrial processes to absorb and dissipate heat generated during operations.Industrial manufacturing & chemical processingPubChem
CEDs000739Inks?Inks are complex mixtures composed of pigments or dyes, solvents, resins, and additives used primarily for printing and writing applications.Paper, pulp & fiber productsPubChem
CEDs000740Paper?Paper production involves the processing of wood fibers and the use of various chemicals, which can lead to synthetic chemical contamination.Paper, pulp & fiber productsPubChem
CEDs000743Sludge Treatment?Sludge treatment involves the processing of waste materials generated from wastewater treatment plants, which often contain a variety of organic and inorganic substances.Wastewater, sanitation & biosolidsPubChem
CEDs000744Water, Wastewater, & Sewage Treatment?Water, wastewater, and sewage treatment processes are critical for managing and mitigating pollutants in water systems.Wastewater, sanitation & biosolidsPubChem
CEDs01148MilkFood, food processing & cookwarePMC6668618 , PMC8822143
CEDs01153Breast MilkFood, food processing & cookwarePMC6668618
Pathways
18 pathwaysPathway Source: PathBank
Targets
StructureProteinUniProt IDOrganismRelationshipDetails
Mineralocorticoid receptor structureClick to view 3D structureMineralocorticoid receptorP08235HumansKnownNot Available
Corticosteroid-binding globulin structureClick to view 3D structureCorticosteroid-binding globulinP08185HumansPredicted (SEA)
Prediction Confidence Score
0.663
Applicability Domain
1.0
Statistical Significance
2.00e-05
Supporting Reference Compounds
21
E-value
0.155698
Glucocorticoid receptor structureClick to view 3D structureGlucocorticoid receptorP04150HumansPredicted (SEA)
Prediction Confidence Score
0.653
Applicability Domain
1.0
Statistical Significance
9.00e-05
Supporting Reference Compounds
154
E-value
0.700643
Sex hormone-binding globulin structureClick to view 3D structureSex hormone-binding globulinP04278HumansPredicted (SEA)
Prediction Confidence Score
0.653
Applicability Domain
1.0
Statistical Significance
3.00e-05
Supporting Reference Compounds
33
E-value
0.233548
Androgen receptor structureClick to view 3D structureAndrogen receptorP15207Rattus norvegicusPredicted (SEA)
Prediction Confidence Score
0.501
Applicability Domain
0.569
Statistical Significance
5.20e-04
Supporting Reference Compounds
73
E-value
4.04816
Mineralocorticoid receptor structureClick to view 3D structureMineralocorticoid receptorP08235HumansPredicted (SEA)
Prediction Confidence Score
0.5
Applicability Domain
0.678
Statistical Significance
2.60e-04
Supporting Reference Compounds
74
E-value
2.02408
Click to view 3D structureProgesterone receptorQ690N0Bos taurusPredicted (SEA)
Prediction Confidence Score
0.498
Applicability Domain
0.569
Statistical Significance
1.20e-04
Supporting Reference Compounds
40
E-value
0.934191
Androgen receptor structureClick to view 3D structureAndrogen receptorP10275HumansPredicted (SEA)
Prediction Confidence Score
0.448
Applicability Domain
0.493
Statistical Significance
0.0014
Supporting Reference Compounds
146
E-value
10.821
Progesterone receptor structureClick to view 3D structureProgesterone receptorP06401HumansPredicted (SEA)
Prediction Confidence Score
0.434
Applicability Domain
0.493
Statistical Significance
0.0014
Supporting Reference Compounds
119
E-value
10.5875
Glucocorticoid receptor structureClick to view 3D structureGlucocorticoid receptorP06537Mus musculusPredicted (SEA)
Prediction Confidence Score
0.433
Applicability Domain
0.678
Statistical Significance
7.00e-05
Supporting Reference Compounds
10
E-value
0.544945
Glucocorticoid receptor structureClick to view 3D structureGlucocorticoid receptorP06536Rattus norvegicusPredicted (SEA)
Prediction Confidence Score
0.421
Applicability Domain
0.678
Statistical Significance
3.70e-04
Supporting Reference Compounds
26
E-value
2.88042
Estrogen receptor structureClick to view 3D structureEstrogen receptorP03372HumansPredicted (SEA)
Prediction Confidence Score
0.412
Applicability Domain
0.493
Statistical Significance
0.0022
Supporting Reference Compounds
201
E-value
17.4382
Androgen receptor structureClick to view 3D structureAndrogen receptorP19091Mus musculusPredicted (SEA)
Prediction Confidence Score
0.379
Applicability Domain
0.468
Statistical Significance
3.40e-04
Supporting Reference Compounds
19
E-value
2.64687
Click to view 3D structureSolute carrier family 22 member 3O88446Rattus norvegicusPredicted (SEA)
Prediction Confidence Score
0.374
Applicability Domain
0.492
Statistical Significance
1.50e-04
Supporting Reference Compounds
3
E-value
1.16774
Steroid 17-alpha-hydroxylase/17,20 lyase structureClick to view 3D structureSteroid 17-alpha-hydroxylase/17,20 lyaseP05093HumansPredicted (SEA)
Prediction Confidence Score
0.372
Applicability Domain
0.426
Statistical Significance
0.0011
Supporting Reference Compounds
69
E-value
8.48557
Estrogen receptor beta structureClick to view 3D structureEstrogen receptor betaQ92731HumansPredicted (SEA)
Prediction Confidence Score
0.361
Applicability Domain
0.493
Statistical Significance
0.0032
Supporting Reference Compounds
174
E-value
25.0674
Click to view 3D structure3-oxo-5-alpha-steroid 4-dehydrogenase 1P18405HumansPredicted (SEA)
Prediction Confidence Score
0.343
Applicability Domain
0.412
Statistical Significance
4.90e-04
Supporting Reference Compounds
14
E-value
3.81461
G-protein coupled bile acid receptor 1 structureClick to view 3D structureG-protein coupled bile acid receptor 1Q8TDU6HumansPredicted (SEA)
Prediction Confidence Score
0.339
Applicability Domain
0.493
Statistical Significance
0.0041
Supporting Reference Compounds
54
E-value
31.8403
Aromatase structureClick to view 3D structureAromataseP11511HumansPredicted (SEA)
Prediction Confidence Score
0.334
Applicability Domain
0.456
Statistical Significance
0.0048
Supporting Reference Compounds
127
E-value
37.2898
3-oxo-5-alpha-steroid 4-dehydrogenase 2 structureClick to view 3D structure3-oxo-5-alpha-steroid 4-dehydrogenase 2P31213HumansPredicted (SEA)
Prediction Confidence Score
0.333
Applicability Domain
0.412
Statistical Significance
6.80e-04
Supporting Reference Compounds
19
E-value
5.29375
Click to view 3D structureSolute carrier organic anion transporter family member 1A1P46720Rattus norvegicusPredicted (SEA)
Prediction Confidence Score
0.33
Applicability Domain
0.443
Statistical Significance
5.90e-04
Supporting Reference Compounds
10
E-value
4.5931
Bile salt export pump structureClick to view 3D structureBile salt export pumpO95342HumansPredicted (SEA)
Prediction Confidence Score
0.33
Applicability Domain
0.468
Statistical Significance
0.0018
Supporting Reference Compounds
104
E-value
14.4021
Cytochrome P450 2C9 structureClick to view 3D structureCytochrome P450 2C9P11712HumansPredicted (SEA)
Prediction Confidence Score
0.323
Applicability Domain
0.468
Statistical Significance
0.0749
Supporting Reference Compounds
1245
E-value
583.091
Cytochrome P450 3A4 structureClick to view 3D structureCytochrome P450 3A4P08684HumansPredicted (SEA)
Prediction Confidence Score
0.319
Applicability Domain
0.443
Statistical Significance
0.1058
Supporting Reference Compounds
1538
E-value
823.723
Click to view 3D structure11-beta-hydroxysteroid dehydrogenase type 2P80365HumansKnownNot Available
Click to view 3D structureSolute carrier family 22 member 2Q9R0W2Rattus norvegicusPredicted (SEA)
Prediction Confidence Score
0.315
Applicability Domain
0.492
Statistical Significance
1.10e-04
Supporting Reference Compounds
14
E-value
0.856341
Click to view 3D structure11-beta-hydroxysteroid dehydrogenase type 2P80365HumansPredicted (SEA)
Prediction Confidence Score
0.31
Applicability Domain
0.418
Statistical Significance
9.00e-04
Supporting Reference Compounds
32
E-value
7.00643
11-beta-hydroxysteroid dehydrogenase 1 structureClick to view 3D structure11-beta-hydroxysteroid dehydrogenase 1P28845HumansKnownNot Available
Concentrations
Not Available
External Links
DrugBank IDNot Available
HMDB IDHMDB0002802
FooDB IDFDB023065
Phenol Explorer IDNot Available
KNApSAcK IDNot Available
BiGG ID35911
BioCyc IDCORTISONE
METLIN ID271
PDB IDNot Available
Wikipedia LinkCortisone
Chemspider ID193441
ChEBI ID16962
PubChem Compound ID222786
Kegg Compound IDC00762
YMDB IDNot Available
ECMDB IDNot Available
References
Synthesis ReferenceNot Available
MSDSNot Available
General ReferencesNot Available