1.0 2010-04-08 22:14:53 UTC 2019-11-26 03:18:39 UTC FDB020233 Kaempferol 7-(6''-p-coumaroylglucoside) Isolated from Muntingia calabura (Jamaica cherry). Kaempferol 7-(6''-p-coumaroylglucoside) is found in fruits. Biondnoid A Buddlenoid A Kaempferol 7-(6''-p-coumarylglucoside) C30H26O13 594.5196 594.137340918 (6-{[3,5-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-7-yl]oxy}-3,4,5-trihydroxyoxan-2-yl)methyl (2E)-3-(4-hydroxyphenyl)prop-2-enoate (6-{[3,5-dihydroxy-2-(4-hydroxyphenyl)-4-oxochromen-7-yl]oxy}-3,4,5-trihydroxyoxan-2-yl)methyl (2E)-3-(4-hydroxyphenyl)prop-2-enoate 142750-32-1 OC1C(COC(=O)\C=C\C2=CC=C(O)C=C2)OC(OC2=CC(O)=C3C(OC(=C(O)C3=O)C3=CC=C(O)C=C3)=C2)C(O)C1O InChI=1S/C30H26O13/c31-16-6-1-14(2-7-16)3-10-22(34)40-13-21-24(35)26(37)28(39)30(43-21)41-18-11-19(33)23-20(12-18)42-29(27(38)25(23)36)15-4-8-17(32)9-5-15/h1-12,21,24,26,28,30-33,35,37-39H,13H2/b10-3+ GVLNXQDHAFPPFW-XCVCLJGOSA-N belongs to the class of organic compounds known as flavonoid-7-o-glycosides. These are phenolic compounds containing a flavonoid moiety which is O-glycosidically linked to carbohydrate moiety at the C7-position. Flavonoid-7-O-glycosides Organic compounds Phenylpropanoids and polyketides Flavonoids Flavonoid glycosides Aromatic heteropolycyclic compounds 1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids 3'-hydroxyflavonoids 4'-hydroxyflavonoids 5-O-methylated flavonoids Acetals Alkyl aryl ethers Anisoles Aryl alkyl ketones Benzene and substituted derivatives Catechols Chromones Disaccharides Flavanones Hydrocarbon derivatives O-glycosyl compounds Organic oxides Oxacyclic compounds Oxanes Phenolic glycosides Polyols Primary alcohols Secondary alcohols 1-benzopyran 1-hydroxy-2-unsubstituted benzenoid 1-hydroxy-4-unsubstituted benzenoid 3'-hydroxyflavonoid 4'-hydroxyflavonoid 5-methoxyflavonoid-skeleton Acetal Alcohol Alkyl aryl ether Anisole Aromatic heteropolycyclic compound Aryl alkyl ketone Aryl ketone Benzenoid Benzopyran Catechol Chromane Chromone Disaccharide Ether Flavan Flavanone Flavonoid-7-o-glycoside Glycosyl compound Hydrocarbon derivative Hydroxyflavonoid Ketone Monocyclic benzene moiety O-glycosyl compound Organic oxide Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Oxane Phenol Phenolic glycoside Polyol Primary alcohol Secondary alcohol Flavanones logp 2.75 ALOGPS logs -3.66 ALOGPS solubility 1.31e-01 g/l ALOGPS melting_point Mp 173-174° logp 2.92 ChemAxon pka_strongest_acidic 7.99 ChemAxon pka_strongest_basic -3.6 ChemAxon iupac (6-{[3,5-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-7-yl]oxy}-3,4,5-trihydroxyoxan-2-yl)methyl (2E)-3-(4-hydroxyphenyl)prop-2-enoate ChemAxon average_mass 594.5196 ChemAxon mono_mass 594.137340918 ChemAxon smiles OC1C(COC(=O)\C=C\C2=CC=C(O)C=C2)OC(OC2=CC(O)=C3C(OC(=C(O)C3=O)C3=CC=C(O)C=C3)=C2)C(O)C1O ChemAxon formula C30H26O13 ChemAxon inchi InChI=1S/C30H26O13/c31-16-6-1-14(2-7-16)3-10-22(34)40-13-21-24(35)26(37)28(39)30(43-21)41-18-11-19(33)23-20(12-18)42-29(27(38)25(23)36)15-4-8-17(32)9-5-15/h1-12,21,24,26,28,30-33,35,37-39H,13H2/b10-3+ ChemAxon inchikey GVLNXQDHAFPPFW-XCVCLJGOSA-N ChemAxon polar_surface_area 212.67 ChemAxon refractivity 148.57 ChemAxon polarizability 57.51 ChemAxon rotatable_bond_count 8 ChemAxon acceptor_count 12 ChemAxon donor_count 7 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 316168 Specdb::MsMs 316169 Specdb::MsMs 316170 Specdb::MsMs 362347 Specdb::MsMs 362348 Specdb::MsMs 362349 Specdb::MsMs 2741446 Specdb::MsMs 2741447 Specdb::MsMs 2741448 Specdb::MsMs 2940443 Specdb::MsMs 2940444 Specdb::MsMs 2940445 Specdb::CMs 22592 Specdb::CMs 46788 Specdb::CMs 282992 Specdb::CMs 439505 Specdb::CMs 439506 Specdb::CMs 439507 Specdb::CMs 439508 Specdb::CMs 439509 Specdb::CMs 439510 Specdb::CMs 439511 Specdb::CMs 439512 Specdb::CMs 439513 Specdb::CMs 439514 Specdb::CMs 439515 Specdb::CMs 439516 Specdb::CMs 439517 Specdb::CMs 439518 Specdb::CMs 439519 Specdb::CMs 439520 Specdb::CMs 439521 Specdb::CMs 439522 Specdb::CMs 439523 Specdb::CMs 439524 Specdb::CMs 439525 Specdb::CMs 439526 HMDB40477 #<Reference:0x000055ce30ad00d0> Fruits Unknown generic