This website is for informational and educational purposes only. Please do not self-medicate; contact a medical professional for advice before administration. This website is for informational and educational purposes only. Please do not self-medicate; contact a medical professional for advice before administration.

Formononetin

PubChem CID: 5280378

Connections displayed (default: 10).
Loading graph...

Compound Synonyms formononetin, 485-72-3, Biochanin B, Formononetol, 7-hydroxy-3-(4-methoxyphenyl)-4H-chromen-4-one, 7-Hydroxy-4'-methoxyisoflavone, 7-hydroxy-3-(4-methoxyphenyl)chromen-4-one, Neochanin, 4H-1-Benzopyran-4-one, 7-hydroxy-3-(4-methoxyphenyl)-, Flavosil, Myconate, Mycotech, 4'-O-methyldaidzein, Isoflavone, 7-hydroxy-4'-methoxy-, MFCD00016948, NSC-93360, 7-Hydroxy-3-(4-methoxyphenyl)-4-benzopyrone, CHEBI:18088, EINECS 207-623-9, UNII-295DQC67BJ, NSC 93360, 7-Hydroxy-3-(4-methoxyphenyl)chromone, 295DQC67BJ, DTXSID4022311, 7-hydroxy-4'-methoxy-isoflavone, DTXCID502311, NSC93360, 7-hydroxy-3-(4-methoxyphenyl)-4H-benzopyran-4-one, 7-Hydroxy-3-(4-methoxyphenyl)-4H-1-benzopyran-4-one, FORMONONETIN (USP-RS), FORMONONETIN [USP-RS], SMR000470932, SR-01000765510, formononetine, Formononetin,(S), Formononetin (FOR), Spectrum_000373, Formononetin (Standard), SpecPlus_000223, Daidzein 4-methyl ether, Spectrum2_000560, Spectrum3_000660, Spectrum4_001429, Spectrum5_000258, FORMONONETIN [MI], Formononetin (Formononetol), NCIOpen2_005983, Oprea1_139748, Oprea1_815287, SCHEMBL62915, BSPBio_002299, KBioGR_001878, KBioSS_000853, SPECTRUM102007, MLS000697593, MLS006011897, BIDD:ER0119, DivK1c_006319, SPBio_000639, CHEMBL242341, Formononetin, analytical standard, HY-N0183R, KBio1_001263, KBio2_000853, KBio2_003421, KBio2_005989, KBio3_001519, HMS1922N18, HMS2231I04, HMS3369C07, HMS3655N22, ALBB-030789, BCP29929, Formononetin, >=99.0% (TLC), HY-N0183, TNP00176, Tox21_301848, BBL010458, BDBM50021398, CCG-38727, LMPK12050037, s2299, STK801612, AKOS000270811, AC-8001, DB15335, FF09317, SDCCGMLS-0066428.P001, 7-hydroxy-4'-methoxy-Isoflavone (8CI), NCGC00017269-01, NCGC00017269-02, NCGC00017269-03, NCGC00017269-04, NCGC00017269-05, NCGC00017269-06, NCGC00017269-07, NCGC00095207-01, NCGC00095207-02, NCGC00095207-03, NCGC00178715-01, NCGC00255167-01, 1ST40259, AS-11642, CAS-485-72-3, NCI60_042081, Neochanin, Flavosil, NEOCHANIN, Formononetol, F0868, K-080, NS00002004, SW219915-1, C00858, EN300-116214, FORMONONETIN (CONSTITUENT OF ASTRAGALUS), AB00052676-07, FORMONONETIN (CONSTITUENT OF RED CLOVER), AC-542/21092001, AE-641/01968055, Q408859, SR-01000765510-3, SR-01000765510-4, 7-Hydroxy-3-(4'-methoxyphenyl)-4H-benzopyran-4-one, BRD-K55567017-001-02-4, BRD-K55567017-001-06-5, BRD-K55567017-001-12-3, FORMONONETIN (CONSTITUENT OF ASTRAGALUS) [DSC], FORMONONETIN (CONSTITUENT OF RED CLOVER) [DSC], F3139-1207, Z374511822, 7-hydroxy-3-(4-methoxyphenyl)-4H-benzopyran-4-one(9CI), Formononetin, United States Pharmacopeia (USP) Reference Standard, Biochanin B, Flavosil, Formononetol, NSC 93360, NSC93360, NSC-93360, 207-623-9
Ghose Rule True
Classyfire Kingdom Organic compounds
Topological Polar Surface Area 55.8
Hydrogen Bond Donor Count 1.0
Pfizer 3 75 Rule False
Scaffold Graph Level CC1C2CCCCC2CCC1C1CCCCC1
Np Classifier Class Isoflavones
Deep Smiles COcccccc6))ccoccc6=O))cccc6)O
Heavy Atom Count 20.0
Classyfire Class Isoflavonoids
Description Widespread isoflavone found in soy beans (Glycine max), red clover (Trifolium pratense and chick peas (Cicer arietinum). Potential nutriceutical Formononetin are abundant in vegetables. It is a phyto-oestrogen that is a polyphenolic non-steroidal plant compound with oestrogen-like biological activity (PMID: 16108819). It can be the source of considerable estrogenic activity (http://www.herbalchem.net/Intermediate.htm).
Scaffold Graph Node Level OC1C(C2CCCCC2)COC2CCCCC21
Classyfire Subclass O-methylated isoflavonoids
Isotope Atom Count 0.0
Molecular Complexity 395.0
Database Name cmaup_ingredients;fooddb_chem_all;hmdb_chem_all;imppat_phytochem;npass_chem_all;pubchem
Defined Atom Stereocenter Count 0.0
Uniprot Id P04798, P13866, P31639, P80457, n.a., B4URF0, P37231, Q07869, Q03164, Q99714, B2RXH2, Q16637, P33261, P10636, P00352, P15917, P15428, P04637, P08684, P10635, P11712, Q16236, O95149, P11021, O94925, P38398, O42275, P81908, Q03181, P14916, Q9Y6L6, Q9NPD5, Q03431, P60568, Q04206, Q16678, P18031, P14679, P06401, Q8BW75, Q64133, P27338, P21397, P28074, P0DTD1, P10275, P19838
Iupac Name 7-hydroxy-3-(4-methoxyphenyl)chromen-4-one
Prediction Hob 1.0
Class Isoflavonoids
Veber Rule True
Classyfire Superclass Phenylpropanoids and polyketides
Target Id NPT1603, NPT149, NPT48, NPT93, NPT213, NPT51, NPT94, NPT151, NPT539, NPT109, NPT110, NPT212, NPT1604, NPT582, NPT261
Xlogp 2.8
Superclass Phenylpropanoids and polyketides
Subclass O-methylated isoflavonoids
Gsk 4 400 Rule True
Molecular Formula C16H12O4
Scaffold Graph Node Bond Level O=c1c(-c2ccccc2)coc2ccccc12
Prediction Swissadme 0.0
Inchi Key HKQYGTCOTHHOMP-UHFFFAOYSA-N
Silicos It Class Moderately soluble
Fcsp3 0.0625
Logs -1.434
Rotatable Bond Count 2.0
State Solid
Logd 0.942
Synonyms 4'-O-Methyldaidzein, 4H-1-Benzopyran-4-one, 7-hydroxy-3-(4-methoxyphenyl)-, 7-Hydroxy-3-(4-methoxyphenyl)-4-benzopyrone, 7-Hydroxy-3-(4-methoxyphenyl)-4H-1-benzopyran-4-one, 9CI, 7-hydroxy-3-(4-methoxyphenyl)-4H-benzopyran-4-one, 7-Hydroxy-3-(4-methoxyphenyl)-4H-benzopyran-4-one(9ci), 7-hydroxy-3-(4-methoxyphenyl)-4H-chromen-4-one, 7-Hydroxy-3-(4-methoxyphenyl)chromone, 7-Hydroxy-4'-methoxy-isoflavone, 7-Hydroxy-4'-methoxy-isoflavone (8ci), 7-Hydroxy-4'-methoxyisoflavone, Biochanin B, Daidzein 4-methyl ether, Formononetin, Formononetol, Formoononetin, Neochanin, Pratol, 7-Hydroxy-3-(4-methoxyphenyl)-4H-benzopyran-4-one, 7-Hydroxy-3-(4-methoxyphenyl)-4H-chromen-4-one, Biochanin b, Formononetin, 4-(14)C-labeled, 7-hydroxy-4'-methoxyisoflavone, biochanin b, formononetin
Substituent Name 4p-o-methylisoflavone, Hydroxyisoflavonoid, Isoflavone, Chromone, 1-benzopyran, Benzopyran, Methoxybenzene, Phenol ether, Anisole, Pyranone, Alkyl aryl ether, Benzenoid, Pyran, Monocyclic benzene moiety, Heteroaromatic compound, Oxacycle, Organoheterocyclic compound, Ether, Hydrocarbon derivative, Organooxygen compound, Aromatic heteropolycyclic compound
Esol Class Soluble
Functional Groups c=O, cO, cOC, coc
Compound Name Formononetin
Kingdom Organic compounds
Prediction Hob Swissadme 0.0
Exact Mass 268.074
Formal Charge 0.0
Monoisotopic Mass 268.074
Hydrogen Bond Acceptor Count 4.0
Molecular Weight 268.26
Gi Absorption True
Covalent Unit Count 1.0
Total Atom Stereocenter Count 0.0
Total Bond Stereocenter Count 0.0
Molecular Framework Aromatic heteropolycyclic compounds
Lipinski Rule Of 5 True
Esol -3.2295616
Inchi InChI=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
Smiles COC1=CC=C(C=C1)C2=COC3=C(C2=O)C=CC(=C3)O
Nring 2.0
Np Classifier Biosynthetic Pathway Shikimates and Phenylpropanoids
Defined Bond Stereocenter Count 0.0
Egan Rule True
Taxonomy Direct Parent 4'-O-methylisoflavones
Np Classifier Superclass Isoflavonoids