1.0 2010-04-08 22:08:07 UTC 2020-02-24 19:10:55 UTC FDB008502 4',5,8-Trihydroxyflavanone Constituent of Spinacia oleracea (spinach). 4',5,8-Trihydroxyflavanone is found in green vegetables and spinach. 3-Ethyl-7-(trifluoromethyl)-2-quinoxalinol 5,8,4'-Trihydroxyflavanone 7-Trifluoromethyl-3-ethyl-2(1H)-quinoxalinone C15H12O5 272.2528 272.068473494 5,8-dihydroxy-2-(4-hydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-4-one 5,8-dihydroxy-2-(4-hydroxyphenyl)-2,3-dihydro-1-benzopyran-4-one 123067-25-4 OC1=CC=C(C=C1)C1CC(=O)C2=C(O)C=CC(O)=C2O1 InChI=1S/C15H12O5/c16-9-3-1-8(2-4-9)13-7-12(19)14-10(17)5-6-11(18)15(14)20-13/h1-6,13,16-18H,7H2 SMRHIFAZRRVAQZ-UHFFFAOYSA-N belongs to the class of organic compounds known as flavanones. Flavanones are compounds containing a flavan-3-one moiety, with a structure characterized by a 2-phenyl-3,4-dihydro-2H-1-benzopyran bearing a ketone at the carbon C3. Flavanones Organic compounds Phenylpropanoids and polyketides Flavonoids Flavans Aromatic heteropolycyclic compounds 1-hydroxy-2-unsubstituted benzenoids 4'-hydroxyflavonoids 5-hydroxyflavonoids 8-hydroxyflavonoids Alkyl aryl ethers Aryl alkyl ketones Benzene and substituted derivatives Chromones Hydrocarbon derivatives Organic oxides Oxacyclic compounds Vinylogous acids 1-benzopyran 1-hydroxy-2-unsubstituted benzenoid 4'-hydroxyflavonoid 5-hydroxyflavonoid 8-hydroxyflavonoid Alkyl aryl ether Aromatic heteropolycyclic compound Aryl alkyl ketone Aryl ketone Benzenoid Benzopyran Chromane Chromone Ether Flavanone Hydrocarbon derivative Hydroxyflavonoid Ketone Monocyclic benzene moiety Organic oxide Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Phenol Vinylogous acid Flavanones logp 2.47 ALOGPS logs -3.05 ALOGPS solubility 2.43e-01 g/l ALOGPS melting_point Mp 262-264° logp 2.84 ChemAxon pka_strongest_acidic 9.31 ChemAxon pka_strongest_basic -4.1 ChemAxon iupac 5,8-dihydroxy-2-(4-hydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-4-one ChemAxon average_mass 272.2528 ChemAxon mono_mass 272.068473494 ChemAxon smiles OC1=CC=C(C=C1)C1CC(=O)C2=C(O)C=CC(O)=C2O1 ChemAxon formula C15H12O5 ChemAxon inchi InChI=1S/C15H12O5/c16-9-3-1-8(2-4-9)13-7-12(19)14-10(17)5-6-11(18)15(14)20-13/h1-6,13,16-18H,7H2 ChemAxon inchikey SMRHIFAZRRVAQZ-UHFFFAOYSA-N ChemAxon polar_surface_area 86.99 ChemAxon refractivity 71.29 ChemAxon polarizability 27.16 ChemAxon rotatable_bond_count 1 ChemAxon acceptor_count 5 ChemAxon donor_count 3 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 11509 Specdb::CMs 42634 Specdb::CMs 147025 Specdb::MsMs 80364 Specdb::MsMs 80365 Specdb::MsMs 80366 Specdb::MsMs 141219 Specdb::MsMs 141220 Specdb::MsMs 141221 Specdb::MsMs 2792006 Specdb::MsMs 2792007 Specdb::MsMs 2792008 Specdb::MsMs 2917307 Specdb::MsMs 2917308 Specdb::MsMs 2917309 HMDB31824 #<Reference:0x000055ce307b4bf8> Green vegetables Unknown generic Spinach Type 1 specific Spinacia oleracea 3562