1.0 2010-04-08 22:12:28 UTC 2025-11-19 01:47:28 UTC FDB016497 Kaempferol 7-(6''-galloylglucoside) Isolated from Acacia farnesiana (sweet acacia) Kaempferol 7-(6''-galloylglucoside) C28H24O15 600.4812 600.111520098 (6-{[3,5-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-7-yl]oxy}-3,4,5-trihydroxyoxan-2-yl)methyl 3,4,5-trihydroxybenzoate (6-{[3,5-dihydroxy-2-(4-hydroxyphenyl)-4-oxochromen-7-yl]oxy}-3,4,5-trihydroxyoxan-2-yl)methyl 3,4,5-trihydroxybenzoate 85933-23-9 OC1C(O)C(COC(=O)C2=CC(O)=C(O)C(O)=C2)OC(OC2=CC(O)=C3C(OC(=C(O)C3=O)C3=CC=C(O)C=C3)=C2)C1O InChI=1S/C28H24O15/c29-12-3-1-10(2-4-12)26-24(37)22(35)19-14(30)7-13(8-17(19)42-26)41-28-25(38)23(36)21(34)18(43-28)9-40-27(39)11-5-15(31)20(33)16(32)6-11/h1-8,18,21,23,25,28-34,36-38H,9H2 PJGFYRIIZPHDJQ-UHFFFAOYSA-N belongs to the class of organic compounds known as 6-prenylated flavanones. These are flavanones that features a C5-isoprenoid substituent at the 6-position. 6-prenylated flavanones Organic compounds Phenylpropanoids and polyketides Flavonoids Flavans Aromatic heteropolycyclic compounds 1-hydroxy-2-unsubstituted benzenoids 2,2-dimethyl-1-benzopyrans 4'-hydroxyflavonoids 5-hydroxyflavonoids Alkyl aryl ethers Aryl alkyl ketones Benzene and substituted derivatives Chromones Flavanones Hydrocarbon derivatives Organic oxides Oxacyclic compounds Pyranochromenes Pyranoflavonoids Vinylogous acids 1-benzopyran 1-hydroxy-2-unsubstituted benzenoid 2,2-dimethyl-1-benzopyran 4'-hydroxyflavonoid 5-hydroxyflavonoid 6-prenylated flavanone 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 Pyranochromene Pyranoflavonoid Vinylogous acid Flavanones logp 2.16 ALOGPS logs -3.14 ALOGPS solubility 4.37e-01 g/l ALOGPS logp 1.78 ChemAxon pka_strongest_acidic 7.75 ChemAxon pka_strongest_basic -3.7 ChemAxon iupac (6-{[3,5-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-7-yl]oxy}-3,4,5-trihydroxyoxan-2-yl)methyl 3,4,5-trihydroxybenzoate ChemAxon average_mass 600.4812 ChemAxon mono_mass 600.111520098 ChemAxon smiles OC1C(O)C(COC(=O)C2=CC(O)=C(O)C(O)=C2)OC(OC2=CC(O)=C3C(OC(=C(O)C3=O)C3=CC=C(O)C=C3)=C2)C1O ChemAxon formula C28H24O15 ChemAxon inchi InChI=1S/C28H24O15/c29-12-3-1-10(2-4-12)26-24(37)22(35)19-14(30)7-13(8-17(19)42-26)41-28-25(38)23(36)21(34)18(43-28)9-40-27(39)11-5-15(31)20(33)16(32)6-11/h1-8,18,21,23,25,28-34,36-38H,9H2 ChemAxon inchikey PJGFYRIIZPHDJQ-UHFFFAOYSA-N ChemAxon polar_surface_area 253.13 ChemAxon refractivity 142.79 ChemAxon polarizability 56.21 ChemAxon rotatable_bond_count 7 ChemAxon acceptor_count 14 ChemAxon donor_count 9 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 80010 Specdb::MsMs 80011 Specdb::MsMs 80012 Specdb::MsMs 140736 Specdb::MsMs 140737 Specdb::MsMs 140738 Specdb::MsMs 3052484 Specdb::MsMs 3052485 Specdb::MsMs 3052486 Specdb::MsMs 3115306 Specdb::MsMs 3115307 Specdb::MsMs 3115308 Specdb::CMs 20721 Specdb::CMs 45387 Specdb::CMs 462919 Specdb::CMs 462920 Specdb::CMs 462921 Specdb::CMs 462922 Specdb::CMs 462923 Specdb::CMs 462924 Specdb::CMs 462925 Specdb::CMs 462926 Specdb::CMs 462927 Specdb::CMs 462928 Specdb::CMs 462929 Specdb::CMs 462930 Specdb::CMs 462931 Specdb::CMs 462932 Specdb::CMs 462933 Specdb::CMs 462934 Specdb::CMs 462935 Specdb::CMs 462936 Specdb::CMs 462937 Specdb::CMs 462938 Specdb::CMs 462939 Specdb::CMs 462940 Specdb::CMs 462941 HMDB37439 #<Reference:0x000055ce317e33d0>