1.0 2019-09-16 21:23:24 UTC 2019-11-26 03:24:13 UTC FDB093560 Morelloflavone C30H20O11 556.479 556.100561464 8-[(2R,3S)-5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-3,4-dihydro-2H-1-benzopyran-3-yl]-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4H-chromen-4-one morelloflavone OC1=CC=C(C=C1)[C@@H]1OC2=CC(O)=CC(O)=C2C(=O)[C@H]1C1=C2OC(=CC(=O)C2=C(O)C=C1O)C1=CC(O)=C(O)C=C1 InChI=1S/C30H20O11/c31-14-4-1-12(2-5-14)29-27(28(39)25-18(35)8-15(32)9-23(25)41-29)26-20(37)10-19(36)24-21(38)11-22(40-30(24)26)13-3-6-16(33)17(34)7-13/h1-11,27,29,31-37H/t27-,29+/m1/s1 GFWPWSNIXRDQJC-PXJZQJOASA-N belongs to the class of organic compounds known as biflavonoids and polyflavonoids. These are organic compounds containing at least two flavan/flavone units. These units are usually linked through CC or C-O-C bonds. Some examples include C2-O-C3, C2-O-C4, C3'-C3''', and C6-C8''. Biflavonoids and polyflavonoids Organic compounds Phenylpropanoids and polyketides Flavonoids Biflavonoids and polyflavonoids Aromatic heteropolycyclic compounds 1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids 3'-hydroxyflavonoids 4'-hydroxyflavonoids 5-hydroxyflavonoids 7-hydroxyflavonoids Alkyl aryl ethers Aryl alkyl ketones Benzene and substituted derivatives Catechols Chromones Flavanones Flavones Heteroaromatic compounds Hydrocarbon derivatives Hydroxyisoflavonoids Isoflavanones Organic oxides Oxacyclic compounds Pyranoisoflavonoids Pyranones and derivatives Stilbenes Vinylogous acids 1-benzopyran 1-hydroxy-2-unsubstituted benzenoid 1-hydroxy-4-unsubstituted benzenoid 3'-hydroxyflavonoid 4'-hydroxyflavonoid 5-hydroxyflavonoid 7-hydroxyflavonoid Alkyl aryl ether Aromatic heteropolycyclic compound Aryl alkyl ketone Aryl ketone Benzenoid Benzopyran Bi- and polyflavonoid skeleton Catechol Chromane Chromone Ether Flavan Flavanone Flavone Heteroaromatic compound Hydrocarbon derivative Hydroxyflavonoid Hydroxyisoflavonoid Isoflavan Isoflavanone Isoflavonoid Isoflavonoid skeleton Ketone Monocyclic benzene moiety Organic oxide Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Phenol Pyran Pyranoisoflavonoid Pyranone Stilbene Vinylogous acid biflavonoid hydroxyflavanone hydroxyflavone logp 4.18 ALOGPS logs -4.79 ALOGPS solubility 9.02e-03 g/l ALOGPS logp 4.94 ChemAxon pka_strongest_acidic 6.3 ChemAxon pka_strongest_basic -5.1 ChemAxon iupac 8-[(2R,3S)-5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-3,4-dihydro-2H-1-benzopyran-3-yl]-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4H-chromen-4-one ChemAxon average_mass 556.479 ChemAxon mono_mass 556.100561464 ChemAxon smiles OC1=CC=C(C=C1)[C@@H]1OC2=CC(O)=CC(O)=C2C(=O)[C@H]1C1=C2OC(=CC(=O)C2=C(O)C=C1O)C1=CC(O)=C(O)C=C1 ChemAxon formula C30H20O11 ChemAxon inchi InChI=1S/C30H20O11/c31-14-4-1-12(2-5-14)29-27(28(39)25-18(35)8-15(32)9-23(25)41-29)26-20(37)10-19(36)24-21(38)11-22(40-30(24)26)13-3-6-16(33)17(34)7-13/h1-11,27,29,31-37H/t27-,29+/m1/s1 ChemAxon inchikey GFWPWSNIXRDQJC-PXJZQJOASA-N ChemAxon polar_surface_area 194.21 ChemAxon refractivity 144.8 ChemAxon polarizability 54.53 ChemAxon rotatable_bond_count 3 ChemAxon acceptor_count 11 ChemAxon donor_count 7 ChemAxon physiological_charge -1 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 1245517 Specdb::MsMs 1245518 Specdb::MsMs 1245519 Specdb::MsMs 1360873 Specdb::MsMs 1360874 Specdb::MsMs 1360875 Mundu Type 1 Garcinia dulcis