Methandriol (CED0025746)

Record Information

Version

1.0

Creation Date

2026-04-04 18:08:54 UTC

Update Date

2026-04-04 18:08:54 UTC

SynCED ID

CED0025746

Secondary Accession Numbers

CHEM077334

Identification

Common Name

Methandriol

Class

Small Molecule

Description

Methandriol belongs to the androstane steroids, a subclass of steroids and steroid derivatives within the organic compounds. This lipid and lipid-like molecule has the chemical formula C20H32O2 and an average molecular weight of 304.47 g/mol.

Contaminant Type

Not Available

Chemical Structure

MOL SDF PDB SMILES InChI

Synonyms

Not Available

Chemical Formula

C₂₀H₃₂O₂

Average Molecular Mass

304.474 g/mol

Monoisotopic Mass

304.240 g/mol

CAS Registry Number

521-10-8

IUPAC Name

Not Available

Traditional Name

Not Available

SMILES

[H][C@@]12CC[C@](C)(O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC=C2C[C@@H](O)CC[C@]12C

InChI Identifier

InChI=1S/C20H32O2/c1-18-9-6-14(21)12-13(18)4-5-15-16(18)7-10-19(2)17(15)8-11-20(19,3)22/h4,14-17,21-22H,5-12H2,1-3H3

InChI Key

WRWBCPJQPDHXTJ-UHFFFAOYSA-N

Chemical Taxonomy

Classification

Not classified

Biological Properties

Status

Detected and Not Quantified

Origin

Not Available

Cellular Locations

Not Available

Biofluid Locations

Not Available

Tissue Locations

Not Available

Applications

Not Available

Biological Roles

Not Available

Chemical Roles

Not Available

Organoleptic Effects

Not Available

Physical Properties

State

Not Available

Appearance

Not Available

Experimental Properties

Property	Value
Melting Point	Not Available
Boiling Point	Not Available
Solubility	Not Available

Predicted Properties

Not Available

Spectra

Spectrum Type	Description	Splash Key	Deposition Date	View
Predicted GC-MS	Predicted GC-MS Spectrum	splash10-005j-0190000000-62ae9d2582c24903e935	Not Available	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum	Not Available	Not Available	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum	Not Available	Not Available	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum	Not Available	Not Available	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum	Not Available	Not Available	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum	Not Available	Not Available	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum	Not Available	Not Available	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum	Not Available	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-000i-0091000000-779fc301f7012612b403	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-03xr-1941000000-9e9b1070b99581a01ed4	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-052g-4900000000-21f471b97cc3553c794c	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-0udi-0009000000-f9d10b76ade80bd401ad	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-0udi-0029000000-982c11e6d8e97e1cd9d4	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-0udi-0089000000-3a3e4eb3aba4a7192f0b	Not Available	View Spectrum

Toxicity Profile

Toxicity Values

Toxicity Value	Organism	Dose Descriptor	Route of Exposure	Predicted or Experimental	Toxicity Rating	Reference
3037.0 Log mg/kg [1700:5400]	Rat	LD50	oral	predicted	Not Available	Not Available

Toxicity / Toxin Class

Not Available

Mechanism of Toxicity

Not Available

Carcinogenicity (IARC Classification)

Not Available

Minimum Risk Level

Not Available

Symptoms

Not Available

Treatment

Not Available

Health Effects

Health Effect	Relationship	Direction	Description	Reference

Exposure Sources

Source ID	Source	Sector	Reference
CEDs000511	Conductors 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 Equipment	PubChem
CEDs000518	Electrically 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 Equipment	PubChem
CEDs000519	Electrodes?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 Equipment	PubChem
CEDs000580	Manufacture 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 processing	PubChem
CEDs000601	Lawn Mowers?Lawn mowers, particularly those powered by gasoline, can be a source of synthetic chemical contamination due to the combustion of fossil fuels and the use of engine oils.	Agriculture & land management	PubChem
CEDs000630	Toys?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 surfaces	PubChem
CEDs000632	Apparel?Apparel production often involves the use of various synthetic chemicals, including dyes, finishing agents, and preservatives.	Textiles, leather & furnishings	PubChem
CEDs000635	Buttons?Buttons, often made from synthetic materials such as polyester, nylon, or polycarbonate, can be a source of synthetic chemical contamination during their production, use, and disposal.	Textiles, leather & furnishings	PubChem
CEDs000671	Airplanes 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 & Aerospace	PubChem
CEDs000685	Ceramics?Ceramics can be a source of synthetic chemical contamination through various additives and processing agents used in their production.	Building & Construction	PubChem
CEDs000696	Nanotechnology?Nanotechnology involves the manipulation of materials at the molecular or atomic level, typically within the range of 1 to 100 nanometers.	Industrial manufacturing & chemical processing	PubChem
CEDs000739	Inks?Inks are complex mixtures composed of pigments or dyes, solvents, resins, and additives used primarily for printing and writing applications.	Paper, pulp & fiber products	PubChem

Pathways

0 pathwaysPathway Source: PathBank

No pathways found

No metabolic pathways have been associated with this synthetic chemical

Targets

Structure	Protein	UniProt ID	Organism	Relationship	Details
Click to view 3D structure	Steroid 17-alpha-hydroxylase/17,20 lyase	P05093	Humans	Predicted (SEA)	Prediction Confidence Score 0.558 Applicability Domain 0.604 Statistical Significance 9.00e-05 Supporting Reference Compounds 69 E-value 0.700643
Click to view 3D structure	Sex hormone-binding globulin	P04278	Humans	Predicted (SEA)	Prediction Confidence Score 0.546 Applicability Domain 0.644 Statistical Significance 1.20e-04 Supporting Reference Compounds 33 E-value 0.934191
Click to view 3D structure	NPC1-like intracellular cholesterol transporter 1	Q9UHC9	Humans	Predicted (SEA)	Prediction Confidence Score 0.511 Applicability Domain 0.644 Statistical Significance 1.40e-04 Supporting Reference Compounds 13 E-value 1.08989
Click to view 3D structure	Corticosteroid-binding globulin	P08185	Humans	Predicted (SEA)	Prediction Confidence Score 0.508 Applicability Domain 0.644 Statistical Significance 1.80e-04 Supporting Reference Compounds 21 E-value 1.40129
Click to view 3D structure	Steroid 17-alpha-hydroxylase/17,20 lyase	P11715	Rattus norvegicus	Predicted (SEA)	Prediction Confidence Score 0.506 Applicability Domain 0.604 Statistical Significance 9.00e-05 Supporting Reference Compounds 23 E-value 0.700643
Click to view 3D structure	Oxysterol-binding protein 1	P22059	Humans	Predicted (SEA)	Prediction Confidence Score 0.5 Applicability Domain 0.509 Statistical Significance 1.60e-04 Supporting Reference Compounds 9 E-value 1.24559
Click to view 3D structure	Steroid 21-hydroxylase	P08686	Humans	Predicted (SEA)	Prediction Confidence Score 0.498 Applicability Domain 0.592 Statistical Significance 2.10e-04 Supporting Reference Compounds 26 E-value 1.63483
Click to view 3D structure	Oxysterol-binding protein 2	Q969R2	Humans	Predicted (SEA)	Prediction Confidence Score 0.497 Applicability Domain 0.509 Statistical Significance 1.60e-04 Supporting Reference Compounds 7 E-value 1.24559
Click to view 3D structure	Oxysterols receptor LXR-alpha	Q13133	Humans	Predicted (SEA)	Prediction Confidence Score 0.492 Applicability Domain 0.5 Statistical Significance 0.0015 Supporting Reference Compounds 76 E-value 11.7552
Click to view 3D structure	Glucose-6-phosphate 1-dehydrogenase	Q9GRG7	Trypanosoma brucei	Predicted (SEA)	Prediction Confidence Score 0.471 Applicability Domain 0.644 Statistical Significance 4.00e-05 Supporting Reference Compounds 2 E-value 0.311397
Click to view 3D structure	Nuclear receptor ROR-gamma	P51449	Humans	Predicted (SEA)	Prediction Confidence Score 0.461 Applicability Domain 0.509 Statistical Significance 0.0022 Supporting Reference Compounds 102 E-value 17.4382
Click to view 3D structure	Androgen receptor	P15207	Rattus norvegicus	Predicted (SEA)	Prediction Confidence Score 0.446 Applicability Domain 0.644 Statistical Significance 7.60e-04 Supporting Reference Compounds 73 E-value 5.91654
Click to view 3D structure	Androgen receptor	P10275	Humans	Predicted (SEA)	Prediction Confidence Score 0.444 Applicability Domain 0.644 Statistical Significance 0.0015 Supporting Reference Compounds 146 E-value 11.4438
Click to view 3D structure	Estrogen receptor	P03372	Humans	Predicted (SEA)	Prediction Confidence Score 0.418 Applicability Domain 0.644 Statistical Significance 0.0021 Supporting Reference Compounds 201 E-value 16.0369
Click to view 3D structure	Glucocorticoid receptor	P04150	Humans	Predicted (SEA)	Prediction Confidence Score 0.407 Applicability Domain 0.509 Statistical Significance 0.002 Supporting Reference Compounds 154 E-value 15.2584
Click to view 3D structure	Estrogen receptor beta	Q92731	Humans	Predicted (SEA)	Prediction Confidence Score 0.399 Applicability Domain 0.644 Statistical Significance 0.0017 Supporting Reference Compounds 174 E-value 13.2344
Click to view 3D structure	Aromatase	P11511	Humans	Predicted (SEA)	Prediction Confidence Score 0.387 Applicability Domain 0.556 Statistical Significance 0.0022 Supporting Reference Compounds 127 E-value 17.3604
Click to view 3D structure	Progesterone receptor	Q690N0	Bos taurus	Predicted (SEA)	Prediction Confidence Score 0.379 Applicability Domain 0.5 Statistical Significance 8.90e-04 Supporting Reference Compounds 40 E-value 6.92858
Click to view 3D structure	Oxysterols receptor LXR-beta	Q62755	Rattus norvegicus	Predicted (SEA)	Prediction Confidence Score 0.363 Applicability Domain 0.468 Statistical Significance 1.40e-04 Supporting Reference Compounds 4 E-value 1.08989
Click to view 3D structure	G-protein coupled bile acid receptor 1	Q8TDU6	Humans	Predicted (SEA)	Prediction Confidence Score 0.363 Applicability Domain 0.644 Statistical Significance 0.0031 Supporting Reference Compounds 54 E-value 24.5225
Click to view 3D structure	Cytochrome P450 3A4	P08684	Humans	Predicted (SEA)	Prediction Confidence Score 0.347 Applicability Domain 0.556 Statistical Significance 0.0575 Supporting Reference Compounds 1538 E-value 447.477
Click to view 3D structure	C-8 sterol isomerase ERG2	P32352	Baker's yeast	Predicted (SEA)	Prediction Confidence Score 0.346 Applicability Domain 0.453 Statistical Significance 2.10e-04 Supporting Reference Compounds 20 E-value 1.63483
Click to view 3D structure	Sigma non-opioid intracellular receptor 1	Q99720	Humans	Predicted (SEA)	Prediction Confidence Score 0.345 Applicability Domain 0.509 Statistical Significance 0.0285 Supporting Reference Compounds 562 E-value 221.637
Click to view 3D structure	3-oxo-5-alpha-steroid 4-dehydrogenase 2	P31213	Humans	Predicted (SEA)	Prediction Confidence Score 0.342 Applicability Domain 0.604 Statistical Significance 6.20e-04 Supporting Reference Compounds 19 E-value 4.82665
Click to view 3D structure	Ephrin type-A receptor 7	Q61772	Mus musculus	Predicted (SEA)	Prediction Confidence Score 0.337 Applicability Domain 0.337 Statistical Significance 3.40e-04 Supporting Reference Compounds 1 E-value 2.64687