1.0 2010-04-08 22:12:23 UTC 2019-11-26 03:13:04 UTC FDB016343 2,3-Dihydro-5,5',7,7'-tetrahydroxy-2-(4-hydroxyphenyl)[3,8'-bi-4H-1-benzopyran]-4,4'-dione Isolated from leaves of Garcinia dulcis (mundu). 2,3-Dihydro-5,5',7,7'-tetrahydroxy-2-(4-hydroxyphenyl)[3,8'-bi-4H-1-benzopyran]-4,4'-dione is found in fruits. 4'',5,5',7,7'-Pentahydroxyflavanone-(3,8)-chromone C24H16O9 448.3784 448.07943211 8-[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-3,4-dihydro-2H-1-benzopyran-3-yl]-5,7-dihydroxy-4H-chromen-4-one 8-[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-2,3-dihydro-1-benzopyran-3-yl]-5,7-dihydroxychromen-4-one 60857-34-3 OC1=CC=C(C=C1)C1OC2=CC(O)=CC(O)=C2C(=O)C1C1=C(O)C=C(O)C2=C1OC=CC2=O InChI=1S/C24H16O9/c25-11-3-1-10(2-4-11)23-21(22(31)19-14(28)7-12(26)8-17(19)33-23)20-16(30)9-15(29)18-13(27)5-6-32-24(18)20/h1-9,21,23,25-26,28-30H WNBLZPGLZHQKPS-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 4'-hydroxyflavonoids 5-hydroxyflavonoids 7-hydroxyflavonoids Alkyl aryl ethers Aryl alkyl ketones Benzene and substituted derivatives Chromones Flavanones Heteroaromatic compounds Hydrocarbon derivatives Hydroxyisoflavonoids Isoflavanones Organic oxides Oxacyclic compounds Pyranones and derivatives Stilbenes Vinylogous acids 1-benzopyran 1-hydroxy-2-unsubstituted benzenoid 1-hydroxy-4-unsubstituted benzenoid 4'-hydroxyflavonoid 5-hydroxyflavonoid 7-hydroxyflavonoid Alkyl aryl ether Aromatic heteropolycyclic compound Aryl alkyl ketone Aryl ketone Benzenoid Benzopyran Chromane Chromone Ether Flavan Flavanone Heteroaromatic compound Hydrocarbon derivative Hydroxyflavonoid Hydroxyisoflavonoid Isoflavan Isoflavanone Ketone Monocyclic benzene moiety Organic oxide Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Phenol Pyran Pyranoisoflavonoid Pyranone Stilbene Vinylogous acid logp 3.68 ALOGPS logs -4.38 ALOGPS solubility 1.87e-02 g/l ALOGPS melting_point Mp 300° logp 4.25 ChemAxon pka_strongest_acidic 6.36 ChemAxon pka_strongest_basic -3.9 ChemAxon iupac 8-[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-3,4-dihydro-2H-1-benzopyran-3-yl]-5,7-dihydroxy-4H-chromen-4-one ChemAxon average_mass 448.3784 ChemAxon mono_mass 448.07943211 ChemAxon smiles OC1=CC=C(C=C1)C1OC2=CC(O)=CC(O)=C2C(=O)C1C1=C(O)C=C(O)C2=C1OC=CC2=O ChemAxon formula C24H16O9 ChemAxon inchi InChI=1S/C24H16O9/c25-11-3-1-10(2-4-11)23-21(22(31)19-14(28)7-12(26)8-17(19)33-23)20-16(30)9-15(29)18-13(27)5-6-32-24(18)20/h1-9,21,23,25-26,28-30H ChemAxon inchikey WNBLZPGLZHQKPS-UHFFFAOYSA-N ChemAxon polar_surface_area 153.75 ChemAxon refractivity 115.15 ChemAxon polarizability 43.05 ChemAxon rotatable_bond_count 2 ChemAxon acceptor_count 9 ChemAxon donor_count 5 ChemAxon physiological_charge -1 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 85650 Specdb::MsMs 85651 Specdb::MsMs 85652 Specdb::MsMs 147786 Specdb::MsMs 147787 Specdb::MsMs 147788 Specdb::MsMs 2420085 Specdb::MsMs 2420086 Specdb::MsMs 2420087 Specdb::MsMs 2545099 Specdb::MsMs 2545100 Specdb::MsMs 2545101 Specdb::CMs 17772 Specdb::CMs 45315 Specdb::CMs 133088 Specdb::CMs 140822 Specdb::CMs 156129 Specdb::CMs 156131 Specdb::CMs 156134 Specdb::CMs 156136 Specdb::CMs 156138 Specdb::CMs 156140 Specdb::CMs 156142 Specdb::CMs 156144 Specdb::CMs 156146 Specdb::CMs 156148 Specdb::CMs 156150 Specdb::CMs 156151 Specdb::CMs 156153 Specdb::CMs 156155 Specdb::CMs 156157 Specdb::CMs 156159 Specdb::CMs 156161 Specdb::CMs 156163 Specdb::CMs 156165 Specdb::CMs 156167 Specdb::CMs 156169 HMDB37323 #<Reference:0x000055ce31e3cda8> Fruits Unknown generic