1.0 2010-04-08 22:14:56 UTC 2019-11-26 03:18:44 UTC FDB020306 Kaempferol 3-(2'',3''-diacetyl-4''-p-coumaroylrhamnoside) Isolated from leaves of bog myrtle (Myrica gale). Kaempferol 3-(2'',3''-diacetyl-4''-p-coumaroylrhamnoside) is found in herbs and spices. 3,4',5,7-Tetrahydroxyflavone 3-O-[4-hydroxycinnamoyl-(->4)-2,3-di-O-acetyl-a-L-rhamnopyranoside] Kaempferol 3-(2'',3''-diacetyl-4''-P-coumarylrhamnoside Kaempferol 3-(2'',3''-diacetyl-4''-p-coumarylrhamnoside) Kaempferol 3-[p-coumaroyl-(->4)-2,3-diacetylrhamnoside] Kaempferol 3-O-[4-hydroxycinnamoyl-(->4)-2,3-di-O-acetyl-a-L-rhamnopyranoside] C34H30O14 662.5936 662.163555668 4,5-bis(acetyloxy)-6-{[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-3-yl]oxy}-2-methyloxan-3-yl (2E)-3-(4-hydroxyphenyl)prop-2-enoate 4,5-bis(acetyloxy)-6-{[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxochromen-3-yl]oxy}-2-methyloxan-3-yl (2E)-3-(4-hydroxyphenyl)prop-2-enoate 128941-61-7 CC1OC(OC2=C(OC3=CC(O)=CC(O)=C3C2=O)C2=CC=C(O)C=C2)C(OC(C)=O)C(OC(C)=O)C1OC(=O)\C=C\C1=CC=C(O)C=C1 InChI=1S/C34H30O14/c1-16-29(47-26(41)13-6-19-4-9-21(37)10-5-19)32(44-17(2)35)33(45-18(3)36)34(43-16)48-31-28(42)27-24(40)14-23(39)15-25(27)46-30(31)20-7-11-22(38)12-8-20/h4-16,29,32-34,37-40H,1-3H3/b13-6+ NEYRFFHYUHAXKD-AWNIVKPZSA-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 Enoate esters Fatty acid esters Flavones Heteroaromatic compounds Hexoses Hydrocarbon derivatives O-glycosyl compounds Organic oxides Oxacyclic compounds Oxanes Pyranones and derivatives Styrenes Tricarboxylic acids and derivatives Vinylogous acids 1-benzopyran 1-hydroxy-2-unsubstituted benzenoid 1-hydroxy-4-unsubstituted benzenoid 4'-hydroxyflavonoid 5-hydroxyflavonoid 7-hydroxyflavonoid Acetal 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 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 Styrene Tricarboxylic acid or derivatives Vinylogous acid logp 4.40 ALOGPS logs -4.58 ALOGPS solubility 1.72e-02 g/l ALOGPS logp 4.82 ChemAxon pka_strongest_acidic 6.43 ChemAxon pka_strongest_basic -4.3 ChemAxon iupac 4,5-bis(acetyloxy)-6-{[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-3-yl]oxy}-2-methyloxan-3-yl (2E)-3-(4-hydroxyphenyl)prop-2-enoate ChemAxon average_mass 662.5936 ChemAxon mono_mass 662.163555668 ChemAxon smiles CC1OC(OC2=C(OC3=CC(O)=CC(O)=C3C2=O)C2=CC=C(O)C=C2)C(OC(C)=O)C(OC(C)=O)C1OC(=O)\C=C\C1=CC=C(O)C=C1 ChemAxon formula C34H30O14 ChemAxon inchi InChI=1S/C34H30O14/c1-16-29(47-26(41)13-6-19-4-9-21(37)10-5-19)32(44-17(2)35)33(45-18(3)36)34(43-16)48-31-28(42)27-24(40)14-23(39)15-25(27)46-30(31)20-7-11-22(38)12-8-20/h4-16,29,32-34,37-40H,1-3H3/b13-6+ ChemAxon inchikey NEYRFFHYUHAXKD-AWNIVKPZSA-N ChemAxon polar_surface_area 204.58 ChemAxon refractivity 165.6 ChemAxon polarizability 65.65 ChemAxon rotatable_bond_count 11 ChemAxon acceptor_count 11 ChemAxon donor_count 4 ChemAxon physiological_charge -1 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 286933 Specdb::MsMs 286934 Specdb::MsMs 286935 Specdb::MsMs 325669 Specdb::MsMs 325670 Specdb::MsMs 325671 Specdb::MsMs 2283988 Specdb::MsMs 2283989 Specdb::MsMs 2283990 Specdb::MsMs 3081495 Specdb::MsMs 3081496 Specdb::MsMs 3081497 Specdb::CMs 9489 Specdb::CMs 674801 Specdb::CMs 674802 Specdb::CMs 674803 Specdb::CMs 674804 Specdb::CMs 674805 Specdb::CMs 674806 Specdb::CMs 674807 Specdb::CMs 674808 Specdb::CMs 674809 Specdb::CMs 674810 Specdb::CMs 674811 Specdb::CMs 674812 Specdb::CMs 674813 Specdb::CMs 674814 Specdb::CMs 674815 Specdb::CMs 674816 Specdb::CMs 674817 Specdb::CMs 674818 Specdb::CMs 674819 Specdb::CMs 674820 Specdb::CMs 674821 Specdb::CMs 674822 Specdb::CMs 674823 Specdb::CMs 674824 HMDB40537 #<Reference:0x000055ce326796d8> Herbs and Spices Unknown generic