1.0 2016-09-30 23:18:05 UTC 2020-04-22 15:16:11 UTC BMDB0005760 BMDB05760 Dihydrodaidzein (+/-)-dihydrodaidzein 2,3-Dihydro-7-hydroxy-3-(4-hydroxyphenyl)-4H-1-benzopyran-4-one 7,4'-Dihydroxyisoflavanone 4',7-Dihydroxy-isoflavanone C15H12O4 256.2534 256.073558872 7-hydroxy-3-(4-hydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-4-one (+/-)-dihydrodaidzein 17238-05-0 OC1=CC=C(C=C1)C1COC2=C(C=CC(O)=C2)C1=O InChI=1S/C15H12O4/c16-10-3-1-9(2-4-10)13-8-19-14-7-11(17)5-6-12(14)15(13)18/h1-7,13,16-17H,8H2 JHYXBPPMXZIHKG-UHFFFAOYSA-N belongs to the class of organic compounds known as isoflavanones. These are polycyclic compounds containing an isoflavan skeleton which bears a ketone at position C4. Organic compounds Phenylpropanoids and polyketides Isoflavonoids Isoflavans Isoflavanones 1-hydroxy-2-unsubstituted benzenoids Alkyl aryl ethers Aryl alkyl ketones Benzene and substituted derivatives Chromones Hydrocarbon derivatives Hydroxyisoflavonoids Isoflavanols Organic oxides Oxacyclic compounds 1-benzopyran 1-hydroxy-2-unsubstituted benzenoid Alkyl aryl ether Aromatic heteropolycyclic compound Aryl alkyl ketone Aryl ketone Benzenoid Benzopyran Chromane Chromone Ether Hydrocarbon derivative Hydroxyisoflavonoid Isoflavanol Isoflavanone Ketone Monocyclic benzene moiety Organic oxide Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Phenol Aromatic heteropolycyclic compounds Isoflavonoids an isoflavone hydroxyisoflavanone Solid melting_point 250 °C logp 2.77 ALOGPS logs -3.28 ALOGPS logp 2.38 ChemAxon pka_strongest_acidic 7.78 ChemAxon pka_strongest_basic -4.9 ChemAxon iupac 7-hydroxy-3-(4-hydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-4-one ChemAxon average_mass 256.2534 ChemAxon mono_mass 256.073558872 ChemAxon smiles OC1=CC=C(C=C1)C1COC2=C(C=CC(O)=C2)C1=O ChemAxon formula C15H12O4 ChemAxon inchi InChI=1S/C15H12O4/c16-10-3-1-9(2-4-10)13-8-19-14-7-11(17)5-6-12(14)15(13)18/h1-7,13,16-17H,8H2 ChemAxon inchikey JHYXBPPMXZIHKG-UHFFFAOYSA-N ChemAxon polar_surface_area 66.76 ChemAxon refractivity 69.7 ChemAxon polarizability 25.76 ChemAxon rotatable_bond_count 1 ChemAxon acceptor_count 4 ChemAxon donor_count 2 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon number_of_rings 3 ChemAxon bioavailability 1 ChemAxon rule_of_five Yes ChemAxon ghose_filter Yes ChemAxon veber_rule Yes ChemAxon mddr_like_rule Yes ChemAxon Specdb::CMs 5780 Specdb::CMs 38868 Specdb::CMs 162795 Specdb::MsMs 76488 Specdb::MsMs 76489 Specdb::MsMs 76490 Specdb::MsMs 136332 Specdb::MsMs 136333 Specdb::MsMs 136334 Specdb::MsMs 1479261 Specdb::MsMs 1479359 Specdb::MsMs 2315198 Specdb::MsMs 2315199 Specdb::MsMs 2315200 Specdb::MsMs 2620460 Specdb::MsMs 2620461 Specdb::MsMs 2620462 154076 176907 FDB023752 75842 C00009533 2-HYDROXY-23-DIHYDRODAIDZEIN Jain, Amolak C.; Nayyar, Naresh K. Synthesis of (±)-sativanone and (±)-dihydrodaidzein. Indian Journal of Chemistry, Section B: Organic Chemistry Including Medicinal Chemistry (1987), 26B(2), 136-9.