1.0 2010-04-08 22:10:04 UTC 2019-11-26 03:06:29 UTC FDB012257 Parvisoflavone A Isolated from Phaseolus aureus (mung bean). Parvisoflavone A is found in pulses. 3-(2,4-Dihydroxyphenyl)-5-hydroxy-8,8-dimethyl-4H,8H-benzo[1,2-b:3,4-b']dipyran-4-one, 9CI C20H16O6 352.3374 352.094688244 3-(2,4-dihydroxyphenyl)-5-hydroxy-8,8-dimethyl-4H,8H-pyrano[2,3-f]chromen-4-one parvisoflavone A 50277-01-5 CC1(C)OC2=C(C=C1)C1=C(C(O)=C2)C(=O)C(=CO1)C1=C(O)C=C(O)C=C1 InChI=1S/C20H16O6/c1-20(2)6-5-12-16(26-20)8-15(23)17-18(24)13(9-25-19(12)17)11-4-3-10(21)7-14(11)22/h3-9,21-23H,1-2H3 FNSFANUGPIQSTR-UHFFFAOYSA-N belongs to the class of organic compounds known as pyranoisoflavonoids. These are isoflavonoids that contain a pyran ring fused to either of the A, B, or C ring of the isoflavonoid skeleton. Pyranoisoflavonoids Organic compounds Phenylpropanoids and polyketides Isoflavonoids Pyranoisoflavonoids Aromatic heteropolycyclic compounds 1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids 2,2-dimethyl-1-benzopyrans Alkyl aryl ethers Benzene and substituted derivatives Chromones Heteroaromatic compounds Hydrocarbon derivatives Hydroxyisoflavonoids Isoflavones Organic oxides Oxacyclic compounds Pyranochromenes Pyranones and derivatives Resorcinols Vinylogous acids 1-benzopyran 1-hydroxy-2-unsubstituted benzenoid 1-hydroxy-4-unsubstituted benzenoid 2,2-dimethyl-1-benzopyran Alkyl aryl ether 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 Pyranochromene Pyranoisoflavonoid Pyranone Resorcinol Vinylogous acid Isoflavonoids logp 4.01 ALOGPS logs -4.32 ALOGPS solubility 1.68e-02 g/l ALOGPS melting_point Mp 235-239° logp 3.98 ChemAxon pka_strongest_acidic 8.32 ChemAxon pka_strongest_basic -4.8 ChemAxon iupac 3-(2,4-dihydroxyphenyl)-5-hydroxy-8,8-dimethyl-4H,8H-pyrano[2,3-f]chromen-4-one ChemAxon average_mass 352.3374 ChemAxon mono_mass 352.094688244 ChemAxon smiles CC1(C)OC2=C(C=C1)C1=C(C(O)=C2)C(=O)C(=CO1)C1=C(O)C=C(O)C=C1 ChemAxon formula C20H16O6 ChemAxon inchi InChI=1S/C20H16O6/c1-20(2)6-5-12-16(26-20)8-15(23)17-18(24)13(9-25-19(12)17)11-4-3-10(21)7-14(11)22/h3-9,21-23H,1-2H3 ChemAxon inchikey FNSFANUGPIQSTR-UHFFFAOYSA-N ChemAxon polar_surface_area 96.22 ChemAxon refractivity 96.08 ChemAxon polarizability 36.34 ChemAxon rotatable_bond_count 1 ChemAxon acceptor_count 6 ChemAxon donor_count 3 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 17176 Specdb::CMs 43654 Specdb::CMs 166187 Specdb::MsMs 71922 Specdb::MsMs 71923 Specdb::MsMs 71924 Specdb::MsMs 130701 Specdb::MsMs 130702 Specdb::MsMs 130703 Specdb::MsMs 2839695 Specdb::MsMs 2839696 Specdb::MsMs 2839697 Specdb::MsMs 2869101 Specdb::MsMs 2869102 Specdb::MsMs 2869103 HMDB34019 #<Reference:0x000055ce300b8250> Pulses Unknown generic