1.0 2010-04-08 22:10:03 UTC 2019-11-26 03:06:24 UTC FDB012211 7-Hydroxy-2-methylisoflavone Isolated from roots of Glycyrrhiza glabra (licorice). 7-Hydroxy-2-methylisoflavone is found in tea and herbs and spices. 7-Hydroxy-2-methyl-3-phenyl-4H-1-benzopyran-4-one, 9CI 7-Hydroxy-2-methyl-3-phenyl-4H-chromen-4-one C16H12O3 252.2647 252.07864425 7-hydroxy-2-methyl-3-phenyl-4H-chromen-4-one 7-hydroxy-2-methyl-3-phenylchromen-4-one 2859-88-3 CC1=C(C(=O)C2=C(O1)C=C(O)C=C2)C1=CC=CC=C1 InChI=1S/C16H12O3/c1-10-15(11-5-3-2-4-6-11)16(18)13-8-7-12(17)9-14(13)19-10/h2-9,17H,1H3 BBCDTCKKROIGAB-UHFFFAOYSA-N belongs to the class of organic compounds known as isoflavones. These are polycyclic compounds containing a 2-isoflavene skeleton which bears a ketone group at the C4 carbon atom. Isoflavones Organic compounds Phenylpropanoids and polyketides Isoflavonoids Isoflav-2-enes Aromatic heteropolycyclic compounds 1-hydroxy-2-unsubstituted benzenoids Benzene and substituted derivatives Chromones Heteroaromatic compounds Hydrocarbon derivatives Hydroxyisoflavonoids Organic oxides Organooxygen compounds Oxacyclic compounds Pyranones and derivatives 1-benzopyran 1-hydroxy-2-unsubstituted benzenoid Aromatic heteropolycyclic compound Benzenoid Benzopyran Chromone Heteroaromatic compound Hydrocarbon derivative Hydroxyisoflavonoid Isoflavone Monocyclic benzene moiety Organic oxide Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Pyran Pyranone Isoflavonoids logp 3.71 ALOGPS logs -3.60 ALOGPS solubility 6.33e-02 g/l ALOGPS melting_point Mp 240° logp 3.24 ChemAxon pka_strongest_acidic 6.47 ChemAxon pka_strongest_basic -5.4 ChemAxon iupac 7-hydroxy-2-methyl-3-phenyl-4H-chromen-4-one ChemAxon average_mass 252.2647 ChemAxon mono_mass 252.07864425 ChemAxon smiles CC1=C(C(=O)C2=C(O1)C=C(O)C=C2)C1=CC=CC=C1 ChemAxon formula C16H12O3 ChemAxon inchi InChI=1S/C16H12O3/c1-10-15(11-5-3-2-4-6-11)16(18)13-8-7-12(17)9-14(13)19-10/h2-9,17H,1H3 ChemAxon inchikey BBCDTCKKROIGAB-UHFFFAOYSA-N ChemAxon polar_surface_area 46.53 ChemAxon refractivity 73.54 ChemAxon polarizability 26.76 ChemAxon rotatable_bond_count 1 ChemAxon acceptor_count 3 ChemAxon donor_count 1 ChemAxon physiological_charge -1 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 15859 Specdb::CMs 43618 Specdb::CMs 132642 Specdb::CMs 140376 Specdb::MsMs 84711 Specdb::MsMs 84712 Specdb::MsMs 84713 Specdb::MsMs 146628 Specdb::MsMs 146629 Specdb::MsMs 146630 Specdb::MsMs 2272158 Specdb::MsMs 2272159 Specdb::MsMs 2272160 Specdb::MsMs 3069786 Specdb::MsMs 3069787 Specdb::MsMs 3069788 HMDB33979 #<Reference:0x000055ce3197bcd8> Black tea Type 1 Green tea Type 1 Herbal tea Type 1 Herbs and Spices Unknown generic Red tea Type 1 Tea Type 1 specific Camellia sinensis 4442