Compound: formononetin
SMILES: O=c1c(-c2ccc(OC)cc2)coc3c1ccc(c3)O
InChIKey: HKQYGTCOTHHOMP-UHFFFAOYSA-N
Synonyms: formononetin, 485-72-3, Biochanin B, Formononetol, 7-Hydroxy-4'-methoxyisoflavone, 7-hydroxy-3-(4-methoxyphenyl)chromen-4-one, Flavosil, Myconate, Neochanin, Mycotech, 4'-O-methyldaidzein, NSC-93360, DTXSID4022311, 295DQC67BJ, CHEBI:18088, 7-hydroxy-4'-methoxy-isoflavone, DTXCID502311, RefChem:5842, 207-623-9, 7-hydroxy-3-(4-methoxyphenyl)-4H-chromen-4-one, 4H-1-Benzopyran-4-one, 7-hydroxy-3-(4-methoxyphenyl)-, MFCD00016948, 7-Hydroxy-3-(4-methoxyphenyl)-4H-1-benzopyran-4-one, Isoflavone, 7-hydroxy-4'-methoxy-, 7-Hydroxy-3-(4-methoxyphenyl)-4-benzopyrone, 7-Hydroxy-3-(4-methoxyphenyl)chromone, NSC93360, Neochanin; Flavosil;NEOCHANIN;Formononetol, 7-hydroxy-3-(4-methoxyphenyl)-4H-benzopyran-4-one, Fermononetin, SMR000470932, SR-01000765510, EINECS 207-623-9, NSC 93360, formononetine, UNII-295DQC67BJ, Formoononetin;, Neochanin;, Biochanin B;, 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, FORMONONETIN [USP-RS], SPBio_000639, CHEMBL242341, orb1310347, orb3140356, SCHEMBL29361145, Formononetin, analytical standard, HY-N0183R, KBio1_001263, KBio2_000853, KBio2_003421, KBio2_005989, KBio3_001519, HMS1922N18, HMS2231I04, HMS3369C07, HMS3655N22, HMS5080N06, ALBB-030789, Formononetin, >=99.0% (TLC), HY-N0183, MSK40259, TNP00176, Tox21_301848, BBL010458, BDBM50021398, CCG-38727, EBC-00591, LMPK12050037, s2299, SBB016445, 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, AS-11642, CAS-485-72-3, NCI60_042081, ST024713, F0868, K-080, NS00002004, SW219915-1, C00858, EN300-116214, AB00052676-07, AC-542/21092001, AE-641/01968055, F235653, 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
Theoretical properties:
molecular_formula: C16H12O4
molecular_weight: 268.26 g/mol
exact_mass: 268.07355886 g/mol
formal_charge: 0
hydrogen_bond_donor_count: 1
hydrogen_bond_acceptor_count: 4
rotatable_bond_count: 2
heavy_atom_count: 20
topological_polar_surface_area: 55.8 Å²
isotope_atom_count: 0
covalently_bonded_unit_count: 1
Physical properties:
melting_point: 256 - 258 °C
Descriptions:
pubchem: Formononetin is a member of the class of 7-hydroxyisoflavones that is 7-hydroxyisoflavone substituted by a methoxy group at position 4'. It has a role as a plant metabolite and a phytoestrogen. It is a member of 4'-methoxyisoflavones and a member of 7-hydroxyisoflavones. It is functionally related to a daidzein. It is a conjugate acid of a formononetin(1-).
chebi: A member of the class of 7-hydroxyisoflavones that is 7-hydroxyisoflavone substituted by a methoxy group at position 4'.
chembl: FORMONONETIN is a small molecule listed in the ChEMBL database and has reached clinical trial phase 2.0.
wikipedia: Formononetin is an O-methylated isoflavone.