1.0 2010-04-08 22:12:28 UTC 2019-11-26 03:13:21 UTC FDB016500 Kaempferide 3-[glucopyranosyl-(1->?)-glucopyranoside] Isolated from Dillenia indica (elephant apple). Kaempferide 3-[glucopyranosyl-(1->?)-glucopyranoside] is found in beverages and fruits. Kaempferide 3-[glucopyranosyl-(1->?)-glucopyranoside] Kaempferide 3-O-[b-D-glucopyranosyl-(1->?)-b-D-glucopyranoside] C16H12O6 300.2629 300.063388116 3,5,7-trihydroxy-2-(4-methoxyphenyl)-4H-chromen-4-one kaempferide 33569-07-2 COC1=CC=C(C=C1)C1=C(O)C(=O)C2=C(O)C=C(O)C=C2O1 InChI=1S/C16H12O6/c1-21-10-4-2-8(3-5-10)16-15(20)14(19)13-11(18)6-9(17)7-12(13)22-16/h2-7,17-18,20H,1H3 SQFSKOYWJBQGKQ-UHFFFAOYSA-N belongs to the class of organic compounds known as flavonols. Flavonols are compounds that contain a flavone (2-phenyl-1-benzopyran-4-one) backbone carrying a hydroxyl group at the 3-position. Flavonols Organic compounds Phenylpropanoids and polyketides Flavonoids Flavones Aromatic heteropolycyclic compounds 1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids 3-hydroxyflavonoids 4'-O-methylated flavonoids 5-hydroxyflavonoids 7-hydroxyflavonoids Alkyl aryl ethers Anisoles Chromones Heteroaromatic compounds Hydrocarbon derivatives Methoxybenzenes Organic oxides Oxacyclic compounds Phenoxy compounds Polyols Pyranones and derivatives Vinylogous acids 1-benzopyran 1-hydroxy-2-unsubstituted benzenoid 1-hydroxy-4-unsubstituted benzenoid 3-hydroxyflavone 3-hydroxyflavonoid 4p-methoxyflavonoid-skeleton 5-hydroxyflavonoid 7-hydroxyflavonoid Alkyl aryl ether Anisole Aromatic heteropolycyclic compound Benzenoid Benzopyran Chromone Ether Heteroaromatic compound Hydrocarbon derivative Hydroxyflavonoid Methoxybenzene Monocyclic benzene moiety Organic oxide Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Phenol ether Phenoxy compound Polyol Pyran Pyranone Vinylogous acid 7-hydroxyflavonol Flavones and Flavonols Flavones and Flavonols flavonols monomethoxyflavone trihydroxyflavone logp 2.48 ALOGPS logs -3.60 ALOGPS solubility 7.53e-02 g/l ALOGPS logp 2.61 ChemAxon pka_strongest_acidic 6.44 ChemAxon pka_strongest_basic -3.9 ChemAxon iupac 3,5,7-trihydroxy-2-(4-methoxyphenyl)-4H-chromen-4-one ChemAxon average_mass 300.2629 ChemAxon mono_mass 300.063388116 ChemAxon smiles COC1=CC=C(C=C1)C1=C(O)C(=O)C2=C(O)C=C(O)C=C2O1 ChemAxon formula C16H12O6 ChemAxon inchi InChI=1S/C16H12O6/c1-21-10-4-2-8(3-5-10)16-15(20)14(19)13-11(18)6-9(17)7-12(13)22-16/h2-7,17-18,20H,1H3 ChemAxon inchikey SQFSKOYWJBQGKQ-UHFFFAOYSA-N ChemAxon polar_surface_area 96.22 ChemAxon refractivity 79.36 ChemAxon polarizability 29.73 ChemAxon rotatable_bond_count 2 ChemAxon acceptor_count 6 ChemAxon donor_count 3 ChemAxon physiological_charge -1 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 23635 Specdb::CMs 45388 Specdb::CMs 174507 Specdb::MsMs 285927 Specdb::MsMs 285928 Specdb::MsMs 285929 Specdb::MsMs 285930 Specdb::MsMs 285931 Specdb::MsMs 373731 Specdb::MsMs 373732 Specdb::MsMs 373733 Specdb::MsMs 373734 Specdb::MsMs 373735 Specdb::MsMs 373736 Specdb::MsMs 438945 Specdb::MsMs 438946 Specdb::MsMs 439137 Specdb::MsMs 439516 Specdb::MsMs 439518 Specdb::MsMs 439520 Specdb::MsMs 440240 Specdb::MsMs 440241 Specdb::MsMs 440242 Specdb::MsMs 440243 Specdb::MsMs 440244 Specdb::MsMs 2226812 Specdb::MsMs 2227927 Specdb::MsMs 2229136 Beverages Unknown generic Fruits Unknown generic