1.0 2010-04-08 22:09:17 UTC 2019-11-26 03:04:04 UTC FDB010748 Kaempferol 3-(2'',4''-di-(Z)-p-coumaroylrhamnoside) Constituent of Laurus nobilis (bay laurel). Kaempferol 3-(2'',4''-di-(Z)-p-coumaroylrhamnoside) is found in sweet bay, herbs and spices, and fruits. C39H32O14 724.663 724.179205732 2-{[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-3-yl]oxy}-4-hydroxy-5-{[(2E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxy}-6-methyloxan-3-yl (2E)-3-(4-hydroxyphenyl)prop-2-enoate 2-{[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxochromen-3-yl]oxy}-4-hydroxy-5-{[(2E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxy}-6-methyloxan-3-yl (2E)-3-(4-hydroxyphenyl)prop-2-enoate 205534-17-4 CC1OC(OC2=C(OC3=CC(O)=CC(O)=C3C2=O)C2=CC=C(O)C=C2)C(OC(=O)\C=C\C2=CC=C(O)C=C2)C(O)C1OC(=O)\C=C\C1=CC=C(O)C=C1 InChI=1S/C39H32O14/c1-20-35(51-30(45)16-6-21-2-10-24(40)11-3-21)34(48)38(52-31(46)17-7-22-4-12-25(41)13-5-22)39(49-20)53-37-33(47)32-28(44)18-27(43)19-29(32)50-36(37)23-8-14-26(42)15-9-23/h2-20,34-35,38-44,48H,1H3/b16-6+,17-7+ KMOHJUXDKSMQOG-KGMKFKQSSA-N belongs to the class of organic compounds known as flavonoid-3-o-glycosides. These are phenolic compounds containing a flavonoid moiety which is O-glycosidically linked to carbohydrate moiety at the C3-position. Flavonoid-3-O-glycosides Organic compounds Phenylpropanoids and polyketides Flavonoids Flavonoid glycosides Aromatic heteropolycyclic compounds 1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids 4'-hydroxyflavonoids 5-hydroxyflavonoids 7-hydroxyflavonoids Acetals Carbonyl compounds Chromones Cinnamic acid esters Coumaric acid esters Coumaric acids and derivatives Dicarboxylic acids and derivatives Enoate esters Fatty acid esters Flavones Heteroaromatic compounds Hexoses Hydrocarbon derivatives O-glycosyl compounds Organic oxides Oxacyclic compounds Oxanes Pyranones and derivatives Secondary alcohols Styrenes Vinylogous acids 1-benzopyran 1-hydroxy-2-unsubstituted benzenoid 1-hydroxy-4-unsubstituted benzenoid 4'-hydroxyflavonoid 5-hydroxyflavonoid 7-hydroxyflavonoid Acetal Alcohol Alpha,beta-unsaturated carboxylic ester Aromatic heteropolycyclic compound Benzenoid Benzopyran Carbonyl group Carboxylic acid derivative Carboxylic acid ester Chromone Cinnamic acid ester Cinnamic acid or derivatives Coumaric acid ester Coumaric acid or derivatives Dicarboxylic acid or derivatives Enoate ester Fatty acid ester Fatty acyl Flavone Flavonoid-3-o-glycoside Glycosyl compound Heteroaromatic compound Hexose monosaccharide Hydrocarbon derivative Hydroxycinnamic acid or derivatives Hydroxyflavonoid Monocyclic benzene moiety Monosaccharide O-glycosyl compound Organic oxide Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Oxane Phenol Pyran Pyranone Secondary alcohol Styrene Vinylogous acid logp 4.87 ALOGPS logs -4.82 ALOGPS solubility 1.10e-02 g/l ALOGPS logp 6.67 ChemAxon pka_strongest_acidic 6.43 ChemAxon pka_strongest_basic -3.7 ChemAxon iupac 2-{[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-3-yl]oxy}-4-hydroxy-5-{[(2E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxy}-6-methyloxan-3-yl (2E)-3-(4-hydroxyphenyl)prop-2-enoate ChemAxon average_mass 724.663 ChemAxon mono_mass 724.179205732 ChemAxon smiles CC1OC(OC2=C(OC3=CC(O)=CC(O)=C3C2=O)C2=CC=C(O)C=C2)C(OC(=O)\C=C\C2=CC=C(O)C=C2)C(O)C1OC(=O)\C=C\C1=CC=C(O)C=C1 ChemAxon formula C39H32O14 ChemAxon inchi InChI=1S/C39H32O14/c1-20-35(51-30(45)16-6-21-2-10-24(40)11-3-21)34(48)38(52-31(46)17-7-22-4-12-25(41)13-5-22)39(49-20)53-37-33(47)32-28(44)18-27(43)19-29(32)50-36(37)23-8-14-26(42)15-9-23/h2-20,34-35,38-44,48H,1H3/b16-6+,17-7+ ChemAxon inchikey KMOHJUXDKSMQOG-KGMKFKQSSA-N ChemAxon polar_surface_area 218.74 ChemAxon refractivity 188.85 ChemAxon polarizability 73.7 ChemAxon rotatable_bond_count 11 ChemAxon acceptor_count 12 ChemAxon donor_count 6 ChemAxon physiological_charge -1 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 71238 Specdb::MsMs 71239 Specdb::MsMs 71240 Specdb::MsMs 129873 Specdb::MsMs 129874 Specdb::MsMs 129875 Specdb::MsMs 3051620 Specdb::MsMs 3051621 Specdb::MsMs 3051622 Specdb::MsMs 3119635 Specdb::MsMs 3119636 Specdb::MsMs 3119637 Specdb::CMs 71955 Specdb::CMs 761996 Specdb::CMs 761997 Specdb::CMs 761998 Specdb::CMs 761999 Specdb::CMs 762000 Specdb::CMs 762001 Specdb::CMs 762002 Specdb::CMs 762003 Specdb::CMs 762004 Specdb::CMs 762005 Specdb::CMs 762006 Specdb::CMs 762007 Specdb::CMs 762008 Specdb::CMs 762009 Specdb::CMs 762010 Specdb::CMs 762011 Specdb::CMs 762012 Specdb::CMs 762013 Specdb::CMs 762014 Specdb::CMs 762015 Specdb::CMs 762016 Specdb::CMs 762017 Specdb::CMs 762018 Specdb::CMs 762019 HMDB32778 #<Reference:0x000055ce305314f8> Fruits Unknown generic Herbs and Spices Unknown generic Sweet bay Type 1 specific Laurus nobilis 85223