1.0 2010-04-08 22:05:31 UTC 2025-11-18 22:40:41 UTC FDB002791 trans-3,3',4',5,5',7-Hexahydroxyflavanone Isolated from flowers of Eugenia jambolana (jambolan). trans-3,3',4',5,5',7-Hexahydroxyflavanone is found in fruits. (2R,3R)-3,5,7,3',4',5'-Hexahydroxyflavanone 3,3',4',5,5',7-Hexahydroxyflavanone; trans-form C15H12O8 320.251 320.05321736 3,5,7-trihydroxy-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-4-one 3,5,7-trihydroxy-2-(3,4,5-trihydroxyphenyl)-2,3-dihydro-1-benzopyran-4-one 27200-12-0 OC1C(OC2=CC(O)=CC(O)=C2C1=O)C1=CC(O)=C(O)C(O)=C1 InChI=1S/C15H12O8/c16-6-3-7(17)11-10(4-6)23-15(14(22)13(11)21)5-1-8(18)12(20)9(19)2-5/h1-4,14-20,22H KJXSIXMJHKAJOD-UHFFFAOYSA-N belongs to the class of organic compounds known as epigallocatechins. Epigallocatechins are compounds containing epigallocatechin or a derivative. Epigallocatechin is a flavan-3-ol containing a benzopyran-3,5,7-triol linked to a 3,4,5-hydroxyphenyl moiety. Epigallocatechins Organic compounds Phenylpropanoids and polyketides Flavonoids Flavans Aromatic heteropolycyclic compounds 1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids 3'-hydroxyflavonoids 3-hydroxyflavonoids 4'-hydroxyflavonoids 5-hydroxyflavonoids 7-hydroxyflavonoids Alkyl aryl ethers Aryl alkyl ketones Benzene and substituted derivatives Chromones Flavanonols Hydrocarbon derivatives Organic oxides Oxacyclic compounds Polyols Pyrogallols and derivatives Secondary alcohols Vinylogous acids 1-benzopyran 1-hydroxy-2-unsubstituted benzenoid 1-hydroxy-4-unsubstituted benzenoid 3'-hydroxyflavonoid 3-hydroxyflavonoid 4'-hydroxyflavonoid 5-hydroxyflavonoid 7-hydroxyflavonoid Alcohol Alkyl aryl ether Aromatic heteropolycyclic compound Aryl alkyl ketone Aryl ketone Benzenetriol Benzenoid Benzopyran Chromane Chromone Epigallocatechin Ether Flavanone Flavanonol Hydrocarbon derivative Hydroxyflavonoid Ketone Monocyclic benzene moiety Organic oxide Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Phenol Polyol Pyrogallol derivative Secondary alcohol Vinylogous acid 3',5'-dihydroxyflavanone dihydroflavonols hexahydroxyflavanone logp 0.89 ALOGPS logs -2.43 ALOGPS solubility 1.20e+00 g/l ALOGPS melting_point Mp 245-246° logp 1.51 ChemAxon pka_strongest_acidic 7.77 ChemAxon pka_strongest_basic -3.9 ChemAxon iupac 3,5,7-trihydroxy-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-4-one ChemAxon average_mass 320.251 ChemAxon mono_mass 320.05321736 ChemAxon smiles OC1C(OC2=CC(O)=CC(O)=C2C1=O)C1=CC(O)=C(O)C(O)=C1 ChemAxon formula C15H12O8 ChemAxon inchi InChI=1S/C15H12O8/c16-6-3-7(17)11-10(4-6)23-15(14(22)13(11)21)5-1-8(18)12(20)9(19)2-5/h1-4,14-20,22H ChemAxon inchikey KJXSIXMJHKAJOD-UHFFFAOYSA-N ChemAxon polar_surface_area 147.68 ChemAxon refractivity 76.59 ChemAxon polarizability 29.94 ChemAxon rotatable_bond_count 1 ChemAxon acceptor_count 8 ChemAxon donor_count 6 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 21032 Specdb::MsMs 21033 Specdb::MsMs 21034 Specdb::MsMs 22583 Specdb::MsMs 22584 Specdb::MsMs 22585 Specdb::MsMs 2229161 Specdb::MsMs 2230314 Specdb::MsMs 2387411 Specdb::MsMs 2387412 Specdb::MsMs 2387413 Specdb::MsMs 2578074 Specdb::MsMs 2578075 Specdb::MsMs 2578076 Specdb::CMs 24129 Specdb::CMs 42202 Specdb::CMs 121400 Specdb::CMs 137731 Specdb::CMs 145465 Specdb::CMs 873573 Specdb::CMs 873574 Specdb::CMs 873575 Specdb::CMs 873576 Specdb::CMs 873577 Specdb::CMs 873578 Specdb::CMs 873579 Specdb::CMs 873580 Specdb::CMs 873581 Specdb::CMs 873582 Specdb::CMs 873583 Specdb::CMs 873584 Specdb::CMs 873585 Specdb::CMs 873586 Specdb::CMs 873587 Specdb::CMs 873588 Specdb::CMs 873589 Specdb::CMs 873590 Specdb::CMs 873591 Specdb::CMs 873592 HMDB0030835 Fruits Unknown generic