1.0 2010-04-08 22:12:47 UTC 2018-05-29 01:29:15 UTC FDB017004 Apigenin 7-sulfate Isolated from Bixa orellana (annatto) Apigenin 7-sulfate Apigenin 7-sulphate C15H10O8S 350.3 350.009637986 [5-hydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-7-yl]oxidanesulfonic acid apigenin 7-sulfate 56857-56-8 OC1=CC=C(C=C1)C1=CC(=O)C2=C(O)C=C(OS(O)(=O)=O)C=C2O1 InChI=1S/C15H10O8S/c16-9-3-1-8(2-4-9)13-7-12(18)15-11(17)5-10(6-14(15)22-13)23-24(19,20)21/h1-7,16-17H,(H,19,20,21) UQUHXFINOFUDCC-UHFFFAOYSA-N belongs to the class of organic compounds known as flavones. These are flavonoids with a structure based on the backbone of 2-phenylchromen-4-one (2-phenyl-1-benzopyran-4-one). Flavones Organic compounds Phenylpropanoids and polyketides Flavonoids Flavones Aromatic heteropolycyclic compounds 1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids 4'-hydroxyflavonoids 5-hydroxyflavonoids Arylsulfates Benzene and substituted derivatives Chromones Heteroaromatic compounds Hydrocarbon derivatives Organic oxides Organooxygen compounds Oxacyclic compounds Pyranones and derivatives Sulfuric acid monoesters Vinylogous acids 1-benzopyran 1-hydroxy-2-unsubstituted benzenoid 1-hydroxy-4-unsubstituted benzenoid 4'-hydroxyflavonoid 5-hydroxyflavonoid Aromatic heteropolycyclic compound Arylsulfate Benzenoid Benzopyran Chromone Flavone Heteroaromatic compound Hydrocarbon derivative Hydroxyflavonoid Monocyclic benzene moiety Organic oxide Organic oxygen compound Organic sulfuric acid or derivatives Organoheterocyclic compound Organooxygen compound Oxacycle Phenol Pyran Pyranone Sulfate-ester Sulfuric acid ester Sulfuric acid monoester Vinylogous acid Flavones and Flavonols logp 0.82 ALOGPS logs -3.16 ALOGPS solubility 2.45e-01 g/l ALOGPS melting_point 347.5 oC logp 2.23 ChemAxon pka_strongest_acidic -2.5 ChemAxon pka_strongest_basic -5.4 ChemAxon iupac [5-hydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-7-yl]oxidanesulfonic acid ChemAxon average_mass 350.3 ChemAxon mono_mass 350.009637986 ChemAxon smiles OC1=CC=C(C=C1)C1=CC(=O)C2=C(O)C=C(OS(O)(=O)=O)C=C2O1 ChemAxon formula C15H10O8S ChemAxon inchi InChI=1S/C15H10O8S/c16-9-3-1-8(2-4-9)13-7-12(18)15-11(17)5-10(6-14(15)22-13)23-24(19,20)21/h1-7,16-17H,(H,19,20,21) ChemAxon inchikey UQUHXFINOFUDCC-UHFFFAOYSA-N ChemAxon polar_surface_area 130.36 ChemAxon refractivity 82.91 ChemAxon polarizability 32.1 ChemAxon rotatable_bond_count 3 ChemAxon acceptor_count 7 ChemAxon donor_count 3 ChemAxon physiological_charge -1 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 22782 Specdb::CMs 45579 Specdb::CMs 152147 Specdb::MsMs 68247 Specdb::MsMs 68248 Specdb::MsMs 68249 Specdb::MsMs 126234 Specdb::MsMs 126235 Specdb::MsMs 126236 Specdb::MsMs 2840013 Specdb::MsMs 2840014 Specdb::MsMs 2840015 Specdb::MsMs 2869266 Specdb::MsMs 2869267 Specdb::MsMs 2869268 HMDB37851 #<Reference:0x000055ce304b2ae0> #<Reference:0x000055ce304b2928> #<Reference:0x000055ce304b2770> #<Reference:0x000055ce304b25b8>