Formononetin (CED0003904)

Record Information
Version1.0
Creation Date2016-05-22 03:35:52 UTC
Update Date2026-05-14 19:50:22 UTC
Accession NumberCHEM016524
Identification
Common NameFormononetin
ClassSmall Molecule
Description
Formononetin (C16H12O4) is a compound with an average molecular weight of 268.27 g/mol. Formononetin belongs to the o-methylated isoflavonoids, a subclass of isoflavonoids within the organic compounds. It is categorized under the superclass of phenylpropanoids and polyketides. The compound is utilized industrially as a humectant, a softener, and a conditioner. It also serves as an antioxidant in both biological and industrial contexts (PMC13414978). Regarding its health effects, formononetin has therapeutic effects on inflammation and lung cancer (PMC12192122). It is recorded as an inhibitor of the protein target sodium/glucose cotransporter 2 (SLC5A2). Formononetin is found in or released from 18 recorded sources. These include healthcare, pharmaceuticals & veterinary products via medical devices; drinking water & water supply via drinking water; air, dust & atmospheric transport via indoor air; and textiles, leather & furnishings via carpets, rugs, and synthetic textiles. It is also found in food, food processing & cookware, specifically in food packaging and the preparation of wort, vinegar, wine, or sparkling wine. Additionally, it is present in electrical & electronic equipment, including batteries, capacitors, printed circuit boards, cell phones, and wires and cables, among three other sectors. Recorded exposure routes for the compound include oral, inhalation, and touch.
Contaminant Type
  • PFAS
  • Phytotoxin
Chemical Structure
Synonyms
ValueSource
4'-O-MethyldaidzeinChEBI
7-Hydroxy-3-(4-methoxyphenyl)-4-benzopyroneChEBI
7-Hydroxy-3-(4-methoxyphenyl)-4H-benzopyran-4-oneChEBI
7-Hydroxy-3-(4-methoxyphenyl)-4H-chromen-4-oneChEBI
7-Hydroxy-4'-methoxyisoflavoneChEBI
Biochanin bChEBI
FormononetolChEBI
Formononetin, 4-(14)C-labeledMeSH
7-Hydroxy-3-(4-methoxyphenyl)-4H-benzopyran-4-one(9ci)HMDB
7-Hydroxy-4'-methoxy-isoflavoneHMDB
7-Hydroxy-4'-methoxy-isoflavone (8ci)HMDB
Chemical FormulaC16H12O4
Average Molecular Mass268.268 g/mol
Monoisotopic Mass268.074 g/mol
CAS Registry Number485-72-3
IUPAC Name7-hydroxy-3-(4-methoxyphenyl)-4H-chromen-4-one
Traditional Nameformononetin
SMILESCOC1=CC=C(C=C1)C1=COC2=C(C=CC(O)=C2)C1=O
InChI IdentifierInChI=1S/C16H12O4/c1-19-12-5-2-10(3-6-12)14-9-20-15-8-11(17)4-7-13(15)16(14)18/h2-9,17H,1H3
InChI KeyHKQYGTCOTHHOMP-UHFFFAOYSA-N
Chemical Taxonomy
Description Belongs to the class of organic compounds known as 4'-o-methylisoflavones. These are isoflavones with methoxy groups attached to the C4' atom of the isoflavone backbone.
KingdomOrganic compounds
Super ClassPhenylpropanoids and polyketides
ClassIsoflavonoids
Sub ClassO-methylated isoflavonoids
Direct Parent4'-O-methylisoflavones
Alternative Parents
Substituents
  • 4p-o-methylisoflavone
  • Hydroxyisoflavonoid
  • Isoflavone
  • Chromone
  • Benzopyran
  • 1-benzopyran
  • Phenoxy compound
  • Anisole
  • Methoxybenzene
  • Phenol ether
  • 1-hydroxy-2-unsubstituted benzenoid
  • Alkyl aryl ether
  • Pyranone
  • Monocyclic benzene moiety
  • Benzenoid
  • Pyran
  • Heteroaromatic compound
  • Organoheterocyclic compound
  • Ether
  • Oxacycle
  • Organic oxygen compound
  • Organooxygen compound
  • Organic oxide
  • Hydrocarbon derivative
  • Aromatic heteropolycyclic compound
Molecular FrameworkAromatic heteropolycyclic 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 Solubility0.04 g/LALOGPS
logP3.56ALOGPS
logP2.88ChemAxon
logS-3.8ALOGPS
pKa (Strongest Acidic)6.48ChemAxon
pKa (Strongest Basic)-4.7ChemAxon
Physiological Charge-1ChemAxon
Hydrogen Acceptor Count4ChemAxon
Hydrogen Donor Count1ChemAxon
Polar Surface Area55.76 ŲChemAxon
Rotatable Bond Count2ChemAxon
Refractivity74.18 m³·mol⁻¹ChemAxon
Polarizability27.86 ųChemAxon
Number of Rings3ChemAxon
BioavailabilityYesChemAxon
Rule of FiveYesChemAxon
Ghose FilterYesChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleNoChemAxon
Spectra
Spectra
Spectrum TypeDescriptionSplash KeyDeposition DateView
GC-MSGC-MS Spectrumsplash10-0016-2914000000-92598f879b703e3e34beNot AvailableView Spectrum
GC-MSGC-MS Spectrumsplash10-0016-2914000000-92598f879b703e3e34beNot AvailableView Spectrum
Predicted GC-MSPredicted GC-MS Spectrumsplash10-000f-0490000000-e26e3143b0047535b40cNot AvailableView Spectrum
Predicted GC-MSPredicted GC-MS Spectrumsplash10-02or-3897000000-5e35eab52b4bd3010fa5Not AvailableView Spectrum
Predicted GC-MSPredicted GC-MS SpectrumNot AvailableNot AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-006t-0960000000-882facb1d6090879f469Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-006t-0960000000-882facb1d6090879f469Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-006t-0960000000-882facb1d6090879f469Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-0fk9-0390000000-60bac2bf99a8a69fbfa0Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-0fk9-0390000000-60bac2bf99a8a69fbfa0Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-0fk9-0390000000-60bac2bf99a8a69fbfa0Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-006t-0960000000-882facb1d6090879f469Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-0udi-0090000000-c85f2c5d083aef27307aNot AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-014i-0090000000-1c961341bd2d8a5a1789Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-0fk9-0390000000-60bac2bf99a8a69fbfa0Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-0uxr-0090000000-0755787b026efa8867b7Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-014i-0090000000-9e7db78f88f3bcea3676Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-0fvj-0590000000-7aa92270f764672f14e0Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-0fka-0590000000-9b048aa233ab295b38b6Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-0ftb-3960000000-589c4d2db0e1616f048eNot AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-0uxr-0290000000-14118223ff7a3a92da15Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-014i-0090000000-641b16fcdf1e38d31ff3Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-0udi-0090000000-b0f1307bbe6403a8d785Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-0fl1-0970000000-c5c59bf872295bb5bd11Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-0udi-0090000000-f27b95e98c653affcd28Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-0udi-0090000000-5f9bf767f99890c80fc6Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-0uxr-0090000000-27bc455d2b7dd9e8c49bNot AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-0uxr-0090000000-40ec683117d5ddae2909Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-0uxr-0090000000-13fe7148a164de5bc698Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-006t-0960000000-882facb1d6090879f469Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-0udi-0090000000-c85f2c5d083aef27307aNot AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-014i-0090000000-1c961341bd2d8a5a1789Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-0fk9-0390000000-60bac2bf99a8a69fbfa0Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-0uxr-0090000000-0755787b026efa8867b7Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-014i-0090000000-30cc267828b1cb2a0168Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-014i-0190000000-01885551249cc2898d59Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-014i-0690000000-b85b57ff35c0bc994ce5Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-0gb9-0390000000-9f14e6b8461070900cdfNot AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-0udi-0190000000-1c50b51d9d5313800762Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-0udi-0190000000-3a3a423b8526c11822eaNot AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-0ftb-3960000000-589c4d2db0e1616f048eNot AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-014i-0590000000-f043782a9299b97c8ed7Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-014i-0090000000-3fa7dc3b7bbdc7a0f66cNot AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-0udi-0190000000-4519b3af82a65b7fb5feNot AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-00mk-1940000000-111e2139c7f56fbf8f99Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-00kb-1920000000-dc521d2f3fca2e8e7649Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-0uxr-0190000000-28d96caf761e51818299Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-014i-0090000000-e22ca262458798b43a7bNot AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-014i-0090000000-30cc267828b1cb2a0168Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-014i-0190000000-888f26354f7999b32e30Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-0udi-0090000000-cd9250de79e1c2729cdbNot AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-014i-0090000000-27bbff6e386df6cf7db6Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-0udi-0190000000-329c86a8f4f111fd1174Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-014i-0090000000-285c6ee977f0aba543f7Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-00kb-1910000000-c56435f3a19cc59a7eeeNot AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-0uxr-0190000000-330dbd7b410b6370ec0bNot AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-014i-0090000000-35fdbc50ad0a589fb95aNot AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-014i-0090000000-03367dea77b3c3e40e4fNot AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-014i-0090000000-5c37e6503b5bf5976446Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-0fka-0590000000-9e650908af84daf60c57Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-0fka-0590000000-aee005227ce6a804be35Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-0wp1-0690000000-6fadc892288be5713a01Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-0fr5-1910000000-921261a12d5a87499bdcNot AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-014i-0190000000-506fcd1909d95b64613dNot AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-00mk-0940000000-0b4ca574b83b54ff8f34Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-00kb-1910000000-83bcc68b6410ef9739adNot AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-014i-0190000000-9aa2d5de705fc38681c1Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-014i-0090000000-61c109dc38aa4acfe423Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-0v01-0790000000-9722c0a6fbd1d9e09cccNot AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-014i-0190000000-e3afc0a6179c714052f0Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-0uxr-0190000000-14a463e031de1f1dc044Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-014i-0090000000-45418ec359a7b48db8a4Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-006w-3940000000-4d35b0c84736b738673eNot AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-014i-0090000000-1c961341bd2d8a5a1789Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-0ug1-0790000000-c167901f224222c298abNot AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-0fk9-0390000000-60bac2bf99a8a69fbfa0Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-0fka-1890000000-c19691d1df9e81093b99Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-0v0a-0790000000-010829786551242ac08cNot AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-0uxr-0090000000-0755787b026efa8867b7Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-0udi-0090000000-d3a47a6858fa61b1ef1eNot AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-0fr5-0900000000-97ba33191c5a14f2eb44Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-00kb-1910000000-4379595a34f56d4479b4Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-0uk9-0390000000-7746b2007391469dbdd4Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-006t-0960000000-882facb1d6090879f469Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-0fka-1970000000-a457ba56ae9b3c556faeNot AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-00kb-1910000000-36bac3e54bde0a673cabNot AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-0v01-0790000000-3f0b42dc6bb56870c20aNot AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-0udi-0090000000-e331c49523a8319e36e4Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-014i-0090000000-1a63ac44d7af7429ad8fNot AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-00kb-1910000000-b438e3923c4f49d060eaNot AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-0uxr-0090000000-07ebf09f9804f4b89146Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-014i-0190000000-ef47b1afbe80554f9a27Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-0uxr-0190000000-ed7ff451a49483b6fe1aNot AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-0udi-0090000000-c85f2c5d083aef27307aNot AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-00mk-0940000000-bdb89bcc2398c5976454Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-00ke-1910000000-18037c7370cb24afe068Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-0fr5-1910000000-33e5f03399e4e576c6f5Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-014i-0190000000-3d783b713f895629c6fbNot AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-0wp1-0690000000-815e1c6af1274183dde6Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-014i-0090000000-09ddddd5f3627210f2bfNot AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-014i-0090000000-6b26778b53d70d224cf0Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-00ke-1910000000-619fad314d8a72097697Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-0ug1-0690000000-083d0276bf87ead5858fNot AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-014i-0190000000-740cff4b81d566003ba8Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-0uxr-0190000000-30676726e06cf89d162dNot AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-0v0a-0790000000-0e9eac228cb5eea8cadcNot AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-0fr5-0900000000-9e8f2613be77df391d8dNot AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-014i-0090000000-c2d2b47cc1b3d54a37b5Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-0gb9-0390000000-9f14e6b8461070900cdfNot AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-014i-0690000000-b85b57ff35c0bc994ce5Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-014i-0090000000-f355ed3d6c372889a661Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-0fka-0590000000-32bbb6c29e1e79b19673Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-0fl1-0970000000-8abf9c67e51cf99c4b2eNot AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-00kb-1910000000-7826ccdf2204646547ffNot AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-0udi-0890000000-23fecf2eb11b62a25cccNot AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-014i-0090000000-4e62264d96d83f1006b4Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-014i-0090000000-594ebd436c98639ce817Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-000i-4960000000-5532b99421a0a70d5ff2Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-014i-0090000000-620f35334e7fd7404576Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-014i-0090000000-263722926d00078660baNot AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-00kr-4970000000-6aab7e0d78fd4ac98c77Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-014i-0090000000-40ddcbafe3b3d6485788Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-014i-0090000000-9a0bec51cb1b7c700bc6Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-00ds-0590000000-2f12a88bbfbcfe637735Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-014i-0090000000-30b0502b3411ee2af0faNot AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-014i-0090000000-30b0502b3411ee2af0faNot AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-009l-1390000000-dfbc7c04eae49cd7a4b3Not AvailableView Spectrum
Toxicity Profile
Mechanism of ToxicityNot Available
Carcinogenicity (IARC Classification)Not Available
Minimum Risk LevelNot Available
SymptomsNot Available
TreatmentNot Available
Toxicity Values
Toxicity ValueUnitValue RangeOrganismDose DescriptorRoute of ExposurePredicted or ExperimentalReference
937.0Log mg/kg[530:1700]RatLD50oralpredictedNot Available
Health Effects
Health EffectRelationshipDirectionReference
lung cancerhas_therapeutic_effect_onNot AvailablePMC12192122
inflammationhas_therapeutic_effect_onNot AvailablePMC12192122
Exposure Sources
Source IDSourceSectorReference
7PesticidesAgriculture & land managementNot Available
19Indoor airAir, dust & atmospheric transportNot Available
115Drinking waterDrinking water & water supplyNot Available
120Wires and cablesElectrical & Electronic EquipmentNot Available
121Printed circuit boardsElectrical & Electronic EquipmentNot Available
125BatteriesElectrical & Electronic EquipmentNot Available
130SemiconductorsElectrical & Electronic EquipmentNot Available
138LubricantsEnergy, oil & gasNot Available
147Food packagingFood, food processing & cookwareNot Available
174LubricantsIndustrial manufacturing & chemical processingNot Available
234Medical devicesHealthcare, pharmaceuticals & veterinary productsNot Available
451Carpets and RugsTextiles, leather & furnishingsNot Available
454Synthetic textilesTextiles, leather & furnishingsNot Available
490Personal care & cosmeticsNot Available
492Cell phonesElectrical & Electronic EquipmentNot Available
493CapacitorsElectrical & Electronic EquipmentNot Available
548Preparation Of VinegarFood, food processing & cookwareNot Available
549Preparation Of Wine Or Sparkling WineFood, food processing & cookwareNot Available
550Preparation Of WortFood, food processing & cookwareNot Available
598Fertiliser DistributorsAgriculture & land managementNot Available
607Rodenticides(1)Agriculture & land managementNot Available
608RodenticidesAgriculture & land managementNot Available
612Body Washing Or Cleaning ImplementsPersonal care & cosmeticsNot Available
616Face Mask CosmeticsPersonal care & cosmeticsNot Available
Pathways
0 pathways

No pathways found

No metabolic pathways have been associated with this synthetic chemical

Targets
StructureProteinUniProt IDOrganismRelationshipDetails
Protein deacetylase HDAC6 structureClick to view 3D structureProtein deacetylase HDAC6Q9UBN7HumansPredicted (SEA)1.63483
Cytochrome P450 1B1 structureClick to view 3D structureCytochrome P450 1B1Q16678HumansPredicted (SEA)1.94623
Aldehyde dehydrogenase, mitochondrial structureClick to view 3D structureAldehyde dehydrogenase, mitochondrialP05091HumansPredicted (SEA)0.0778492
Interleukin-2 structureClick to view 3D structureInterleukin-2P60568HumansPredicted (SEA)0.0778492
Carbonic anhydrase 1 structureClick to view 3D structureCarbonic anhydrase 1P00915HumansPredicted (SEA)8.48557
Carbonic anhydrase 2 structureClick to view 3D structureCarbonic anhydrase 2P00918HumansPredicted (SEA)10.2761
Carbonic anhydrase 12 structureClick to view 3D structureCarbonic anhydrase 12O43570HumansPredicted (SEA)6.85073
Carbonic anhydrase 7 structureClick to view 3D structureCarbonic anhydrase 7P43166HumansPredicted (SEA)7.62922
Carbonic anhydrase 4 structureClick to view 3D structureCarbonic anhydrase 4P22748HumansPredicted (SEA)3.34752
Click to view 3D structureSulfotransferase 1A1P17988Rattus norvegicusPredicted (SEA)0.389246
Estrogen receptor beta structureClick to view 3D structureEstrogen receptor betaQ92731HumansPredicted (SEA)6.22794
Click to view 3D structureFatty acid synthaseQ965D7Plasmodium falciparumPredicted (SEA)0.934191
Estrogen receptor structureClick to view 3D structureEstrogen receptorP03372HumansPredicted (SEA)11.9888
Macrophage migration inhibitory factor structureClick to view 3D structureMacrophage migration inhibitory factorP14174HumansPredicted (SEA)0.700643
Aromatase structureClick to view 3D structureAromataseP11511HumansPredicted (SEA)11.9109
Xanthine dehydrogenase/oxidase structureClick to view 3D structureXanthine dehydrogenase/oxidaseP47989HumansPredicted (SEA)4.98235
Amine oxidase [flavin-containing] A structureClick to view 3D structureAmine oxidase [flavin-containing] AP21397HumansPredicted (SEA)25.5345
Click to view 3D structure17-beta-hydroxysteroid dehydrogenase type 2P37059HumansPredicted (SEA)5.44945
Click to view 3D structureNeuraminidaseB4URF0Influenza A virusPredicted (SEA)5.3716
Amine oxidase [flavin-containing] B structureClick to view 3D structureAmine oxidase [flavin-containing] BP27338HumansPredicted (SEA)54.5723
Poly [ADP-ribose] polymerase tankyrase-1 structureClick to view 3D structurePoly [ADP-ribose] polymerase tankyrase-1O95271HumansPredicted (SEA)14.5578
Cytochrome P450 1A1 structureClick to view 3D structureCytochrome P450 1A1P04798HumansPredicted (SEA)13.3901
Signal transducer and activator of transcription 1-alpha/beta structureClick to view 3D structureSignal transducer and activator of transcription 1-alpha/betaP42224HumansPredicted (SEA)0.0778492
17-beta-hydroxysteroid dehydrogenase type 1 structureClick to view 3D structure17-beta-hydroxysteroid dehydrogenase type 1P14061HumansPredicted (SEA)7.00643
Cytochrome P450 1A2 structureClick to view 3D structureCytochrome P450 1A2P05177HumansPredicted (SEA)114.516
Concentrations
Not Available
External Links
DrugBank IDNot Available
HMDB IDHMDB0005808
FooDB IDFDB012219
Phenol Explorer ID395
KNApSAcK IDC00002525
BiGG IDNot Available
BioCyc IDFORMONONETIN
METLIN IDNot Available
PDB IDNot Available
Wikipedia LinkFormononetin
Chemspider ID4444070
ChEBI ID18088
PubChem Compound ID5280378
Kegg Compound IDC00858
YMDB IDNot Available
ECMDB IDNot Available
References
Synthesis ReferenceNot Available
MSDSNot Available
General References
1. https://www.ncbi.nlm.nih.gov/pubmed/?term=16108819
2. https://www.ncbi.nlm.nih.gov/pubmed/?term=24023812
3. Whalley J L; Bond T J; Botting N P Synthesis of 13C labelled daidzein and formononetin. Bioorganic & medicinal chemistry letters (1998), 8(18), 2569-72.
4. Hoikkala A, Mustonen E, Saastamoinen I, Jokela T, Taponen J, Saloniemi H, Wahala K: High levels of equol in organic skimmed Finnish cow milk. Mol Nutr Food Res. 2007 Jul;51(7):782-6. doi: 10.1002/mnfr.200600222.
5. Steinshamn H, Purup S, Thuen E, Hansen-Moller J: Effects of clover-grass silages and concentrate supplementation on the content of phytoestrogens in dairy cow milk. J Dairy Sci. 2008 Jul;91(7):2715-25. doi: 10.3168/jds.2007-0857.
6. Nielsen TS, Norgaard JV, Purup S, Frette XC, Bonefeld-Jorgensen EC: Estrogenic activity of bovine milk high or low in equol using immature mouse uterotrophic responses and an estrogen receptor transactivation assay. Cancer Epidemiol. 2009 Jul;33(1):61-8. doi: 10.1016/j.canep.2009.04.003. Epub 2009 May 31.
7. Whalley J L; Bond T J; Botting N P Synthesis of 13C labelled daidzein and formononetin. Bioorganic & medicinal chemistry letters (1998), 8(18), 2569-72.
8. Park J, Kim SH, Cho D, Kim TS: Formononetin, a phyto-oestrogen, and its metabolites up-regulate interleukin-4 production in activated T cells via increased AP-1 DNA binding activity. Immunology. 2005 Sep;116(1):71-81.