1.0 2010-04-08 22:15:17 UTC 2025-11-19 02:34:01 UTC FDB020830 Kaempferol 3-[6'''-p-coumarylglucosyl-(1->2)-rhamnoside] Isolated from Ginkgo biloba (ginkgo). Kaempferol 3-[6'''-p-coumarylglucosyl-(1->2)-rhamnoside] is found in fats and oils. C36H36O17 740.6608 740.195249726 {6-[(2-{[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-3-yl]oxy}-4,5-dihydroxy-6-methyloxan-3-yl)oxy]-3,4,5-trihydroxyoxan-2-yl}methyl (2E)-3-(4-hydroxyphenyl)prop-2-enoate {6-[(2-{[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxochromen-3-yl]oxy}-4,5-dihydroxy-6-methyloxan-3-yl)oxy]-3,4,5-trihydroxyoxan-2-yl}methyl (2E)-3-(4-hydroxyphenyl)prop-2-enoate CC1OC(OC2=C(OC3=CC(O)=CC(O)=C3C2=O)C2=CC=C(O)C=C2)C(OC2OC(COC(=O)\C=C\C3=CC=C(O)C=C3)C(O)C(O)C2O)C(O)C1O InChI=1S/C36H36O17/c1-15-26(42)30(46)34(53-35-31(47)29(45)27(43)23(51-35)14-48-24(41)11-4-16-2-7-18(37)8-3-16)36(49-15)52-33-28(44)25-21(40)12-20(39)13-22(25)50-32(33)17-5-9-19(38)10-6-17/h2-13,15,23,26-27,29-31,34-40,42-43,45-47H,14H2,1H3/b11-4+ KAJMZANRKFVVKV-NYYWCZLTSA-N belongs to the class of organic compounds known as fumonisins. These are diesters of propane-1,2,3-tricarboxylic acid (TCA) and similar long-chain aminopolyol backbones (for FB1: 2S-amino-12S,16R-dimethyl-3S,5R,10R,14S,15R-pentahydroxyeicosane). Structurally, fumonisins resemble the sphingoid bases sphinganine (SA) and sphingosine (SO) to which TCA groups have been added at the C-14 and C-15 positions. Fumonisins Organic compounds Organic acids and derivatives Carboxylic acids and derivatives Fumonisins Aliphatic acyclic compounds 1,2-aminoalcohols Amino acids Carbonyl compounds Carboxylic acid esters Carboxylic acids Fatty acid esters Hexacarboxylic acids and derivatives Hydrocarbon derivatives Monoalkylamines Organic oxides Organopnictogen compounds Secondary alcohols 1,2-aminoalcohol Alcohol Aliphatic acyclic compound Amine Amino acid Amino acid or derivatives Carbonyl group Carboxylic acid Carboxylic acid ester Fatty acid ester Fatty acyl Fumonisin skeleton Fumonisin-skeleton Hexacarboxylic acid or derivatives Hydrocarbon derivative Organic nitrogen compound Organic oxide Organic oxygen compound Organonitrogen compound Organooxygen compound Organopnictogen compound Primary aliphatic amine Primary amine Secondary alcohol logp 2.27 ALOGPS logs -3.31 ALOGPS solubility 3.66e-01 g/l ALOGPS logp 2.17 ChemAxon pka_strongest_acidic 6.43 ChemAxon pka_strongest_basic -3.6 ChemAxon iupac {6-[(2-{[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-3-yl]oxy}-4,5-dihydroxy-6-methyloxan-3-yl)oxy]-3,4,5-trihydroxyoxan-2-yl}methyl (2E)-3-(4-hydroxyphenyl)prop-2-enoate ChemAxon average_mass 740.6608 ChemAxon mono_mass 740.195249726 ChemAxon smiles CC1OC(OC2=C(OC3=CC(O)=CC(O)=C3C2=O)C2=CC=C(O)C=C2)C(OC2OC(COC(=O)\C=C\C3=CC=C(O)C=C3)C(O)C(O)C2O)C(O)C1O ChemAxon formula C36H36O17 ChemAxon inchi InChI=1S/C36H36O17/c1-15-26(42)30(46)34(53-35-31(47)29(45)27(43)23(51-35)14-48-24(41)11-4-16-2-7-18(37)8-3-16)36(49-15)52-33-28(44)25-21(40)12-20(39)13-22(25)50-32(33)17-5-9-19(38)10-6-17/h2-13,15,23,26-27,29-31,34-40,42-43,45-47H,14H2,1H3/b11-4+ ChemAxon inchikey KAJMZANRKFVVKV-NYYWCZLTSA-N ChemAxon polar_surface_area 271.59 ChemAxon refractivity 179.71 ChemAxon polarizability 72.07 ChemAxon rotatable_bond_count 10 ChemAxon acceptor_count 16 ChemAxon donor_count 9 ChemAxon physiological_charge -1 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 304948 Specdb::MsMs 304949 Specdb::MsMs 304950 Specdb::MsMs 348280 Specdb::MsMs 348281 Specdb::MsMs 348282 Specdb::MsMs 2691683 Specdb::MsMs 2691684 Specdb::MsMs 2691685 Specdb::MsMs 2991083 Specdb::MsMs 2991084 Specdb::MsMs 2991085 Specdb::CMs 69773 Specdb::CMs 770752 Specdb::CMs 770753 Specdb::CMs 770754 Specdb::CMs 770755 Specdb::CMs 770756 Specdb::CMs 770757 Specdb::CMs 770758 Specdb::CMs 770759 Specdb::CMs 770760 Specdb::CMs 770761 Specdb::CMs 770762 Specdb::CMs 770763 Specdb::CMs 770764 Specdb::CMs 770765 Specdb::CMs 770766 Specdb::CMs 770767 Specdb::CMs 770768 Specdb::CMs 770769 Specdb::CMs 770770 Specdb::CMs 770771 Specdb::CMs 770772 Specdb::CMs 770773 Specdb::CMs 770774 Specdb::CMs 770775 HMDB40975 #<Reference:0x000055ce318bb848> Fats and oils Unknown generic