1.0 2010-04-08 22:09:14 UTC 2020-02-24 19:11:00 UTC FDB010652 Barpisoflavone A Constituent of Phaseolus coccineus (scarlet runner bean). Barpisoflavone A is found in scarlet bean. 2'-Hydroxyisoprunetin 2',4',7-Trihydroxy-5-methoxyisoflavone Barpisoflavone A C16H12O6 300.2629 300.063388116 3-(2,4-dihydroxyphenyl)-7-hydroxy-5-methoxy-4H-chromen-4-one 3-(2,4-dihydroxyphenyl)-7-hydroxy-5-methoxychromen-4-one 101691-27-4 COC1=C2C(=O)C(=COC2=CC(O)=C1)C1=C(O)C=C(O)C=C1 InChI=1S/C16H12O6/c1-21-13-5-9(18)6-14-15(13)16(20)11(7-22-14)10-3-2-8(17)4-12(10)19/h2-7,17-19H,1H3 TUTSVLUUGMNALO-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 1-hydroxy-4-unsubstituted benzenoids Alkyl aryl ethers Anisoles Benzene and substituted derivatives Chromones Heteroaromatic compounds Hydrocarbon derivatives Hydroxyisoflavonoids Organic oxides Oxacyclic compounds Pyranones and derivatives Resorcinols Vinylogous esters 1-benzopyran 1-hydroxy-2-unsubstituted benzenoid 1-hydroxy-4-unsubstituted benzenoid Alkyl aryl ether Anisole Aromatic heteropolycyclic compound Benzenoid Benzopyran Chromone Ether Heteroaromatic compound Hydrocarbon derivative Hydroxyisoflavonoid Isoflavone Monocyclic benzene moiety Organic oxide Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Phenol Pyran Pyranone Resorcinol Vinylogous ester logp 3.01 ALOGPS logs -3.59 ALOGPS solubility 7.80e-02 g/l ALOGPS melting_point Mp 290° dec. logp 2.27 ChemAxon pka_strongest_acidic 6.53 ChemAxon pka_strongest_basic -4.8 ChemAxon iupac 3-(2,4-dihydroxyphenyl)-7-hydroxy-5-methoxy-4H-chromen-4-one ChemAxon average_mass 300.2629 ChemAxon mono_mass 300.063388116 ChemAxon smiles COC1=C2C(=O)C(=COC2=CC(O)=C1)C1=C(O)C=C(O)C=C1 ChemAxon formula C16H12O6 ChemAxon inchi InChI=1S/C16H12O6/c1-21-13-5-9(18)6-14-15(13)16(20)11(7-22-14)10-3-2-8(17)4-12(10)19/h2-7,17-19H,1H3 ChemAxon inchikey TUTSVLUUGMNALO-UHFFFAOYSA-N ChemAxon polar_surface_area 96.22 ChemAxon refractivity 78.15 ChemAxon polarizability 29.33 ChemAxon rotatable_bond_count 2 ChemAxon acceptor_count 6 ChemAxon donor_count 3 ChemAxon physiological_charge -1 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 44631 Specdb::MsMs 44632 Specdb::MsMs 44633 Specdb::MsMs 112131 Specdb::MsMs 112132 Specdb::MsMs 112133 Specdb::MsMs 452056 Specdb::MsMs 2378389 Specdb::MsMs 2378390 Specdb::MsMs 2378391 Specdb::MsMs 2557437 Specdb::MsMs 2557438 Specdb::MsMs 2557439 Specdb::CMs 9278 Specdb::CMs 42922 Specdb::CMs 145958 HMDB32695 #<Reference:0x000055ce318d0040> Scarlet bean Type 1 specific Phaseolus coccineus 3886