1.0 2010-04-08 22:15:35 UTC 2025-11-19 02:36:33 UTC FDB021280 Kaempferol 3-[6''-(3-hydroxy-3-methylglutaryl)glucoside]-7-glucoside Constituent of 10 year old callus cultures of lime (Citrus aurantifolia). Kaempferol 3-[6''-(3-hydroxy-3-methylglutaryl)glucoside]-7-glucoside is found in lime and citrus. 3-[[6-O-(4-Carboxy-3-hydroxy-3-methyl-1-oxobutyl)-beta-D-glucopyranosyl]oxy]-7-(beta-D-glucopyranosyloxy)-5-hydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one Kaempferol 3-[6''-(3-hydroxy-3-methylglutaryl)glucoside]-7-glucoside C33H38O20 754.6428 754.195643656 3-hydroxy-3-methyl-5-oxo-5-[(3,4,5-trihydroxy-6-{[5-hydroxy-2-(4-hydroxyphenyl)-4-oxo-7-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-4H-chromen-3-yl]oxy}oxan-2-yl)methoxy]pentanoic acid 3-hydroxy-3-methyl-5-oxo-5-[(3,4,5-trihydroxy-6-{[5-hydroxy-2-(4-hydroxyphenyl)-4-oxo-7-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}chromen-3-yl]oxy}oxan-2-yl)methoxy]pentanoic acid 157407-85-7 CC(O)(CC(O)=O)CC(=O)OCC1OC(OC2=C(OC3=CC(OC4OC(CO)C(O)C(O)C4O)=CC(O)=C3C2=O)C2=CC=C(O)C=C2)C(O)C(O)C1O InChI=1S/C33H38O20/c1-33(47,8-19(37)38)9-20(39)48-11-18-23(41)26(44)28(46)32(52-18)53-30-24(42)21-15(36)6-14(49-31-27(45)25(43)22(40)17(10-34)51-31)7-16(21)50-29(30)12-2-4-13(35)5-3-12/h2-7,17-18,22-23,25-28,31-32,34-36,40-41,43-47H,8-11H2,1H3,(H,37,38) KNBPTHQAIKQFMM-UHFFFAOYSA-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 4'-hydroxyflavonoids 5-hydroxyflavonoids Acetals Benzene and substituted derivatives Carbonyl compounds Carboxylic acid esters Carboxylic acids Chromones Dicarboxylic acids and derivatives Fatty acid esters Flavones Flavonoid-3-O-glycosides Heteroaromatic compounds Hydrocarbon derivatives Monosaccharides O-glycosyl compounds Organic oxides Oxacyclic compounds Oxanes Phenolic glycosides Polyols Primary alcohols Pyranones and derivatives Saccharolipids Secondary alcohols Tertiary alcohols Vinylogous acids 1-benzopyran 1-hydroxy-2-unsubstituted benzenoid 1-hydroxy-4-unsubstituted benzenoid 4'-hydroxyflavonoid 5-hydroxyflavonoid Acetal Alcohol Aromatic heteropolycyclic compound Benzenoid Benzopyran Carbonyl group Carboxylic acid Carboxylic acid derivative Carboxylic acid ester Chromone Dicarboxylic acid or derivatives Fatty acid ester Fatty acyl Flavone Flavonoid-3-o-glycoside Flavonoid-7-o-glycoside Glycosyl compound Heteroaromatic compound Hydrocarbon derivative Hydroxyflavonoid Monocyclic benzene moiety Monosaccharide O-glycosyl compound Organic oxide Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Oxane Phenol Phenolic glycoside Polyol Primary alcohol Pyran Pyranone Saccharolipid Secondary alcohol Tertiary alcohol Vinylogous acid logp -0.46 ALOGPS logs -2.60 ALOGPS solubility 1.89e+00 g/l ALOGPS logp -2.2 ChemAxon pka_strongest_acidic 3.75 ChemAxon pka_strongest_basic -3.6 ChemAxon iupac 3-hydroxy-3-methyl-5-oxo-5-[(3,4,5-trihydroxy-6-{[5-hydroxy-2-(4-hydroxyphenyl)-4-oxo-7-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-4H-chromen-3-yl]oxy}oxan-2-yl)methoxy]pentanoic acid ChemAxon average_mass 754.6428 ChemAxon mono_mass 754.195643656 ChemAxon smiles CC(O)(CC(O)=O)CC(=O)OCC1OC(OC2=C(OC3=CC(OC4OC(CO)C(O)C(O)C4O)=CC(O)=C3C2=O)C2=CC=C(O)C=C2)C(O)C(O)C1O ChemAxon formula C33H38O20 ChemAxon inchi InChI=1S/C33H38O20/c1-33(47,8-19(37)38)9-20(39)48-11-18-23(41)26(44)28(46)32(52-18)53-30-24(42)21-15(36)6-14(49-31-27(45)25(43)22(40)17(10-34)51-31)7-16(21)50-29(30)12-2-4-13(35)5-3-12/h2-7,17-18,22-23,25-28,31-32,34-36,40-41,43-47H,8-11H2,1H3,(H,37,38) ChemAxon inchikey KNBPTHQAIKQFMM-UHFFFAOYSA-N ChemAxon polar_surface_area 329.12 ChemAxon refractivity 170.08 ChemAxon polarizability 71.51 ChemAxon rotatable_bond_count 13 ChemAxon acceptor_count 19 ChemAxon donor_count 11 ChemAxon physiological_charge -1 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 778631 Specdb::CMs 778632 Specdb::CMs 778633 Specdb::CMs 778634 Specdb::CMs 778635 Specdb::CMs 778636 Specdb::CMs 778637 Specdb::CMs 778638 Specdb::CMs 778639 Specdb::CMs 778640 Specdb::CMs 778641 Specdb::CMs 778642 Specdb::CMs 778643 Specdb::CMs 778644 Specdb::CMs 778645 Specdb::CMs 778646 Specdb::CMs 778647 Specdb::CMs 778648 Specdb::CMs 778649 Specdb::CMs 778650 Specdb::CMs 778651 Specdb::CMs 778652 Specdb::CMs 778653 Specdb::CMs 778654 Specdb::CMs 778655 Specdb::NmrOneD 46422 Specdb::NmrOneD 46423 Specdb::NmrOneD 46424 Specdb::NmrOneD 46425 Specdb::NmrOneD 46426 Specdb::NmrOneD 46427 Specdb::NmrOneD 46428 Specdb::NmrOneD 46429 Specdb::NmrOneD 46430 Specdb::NmrOneD 46431 Specdb::NmrOneD 46432 Specdb::NmrOneD 46433 Specdb::NmrOneD 46434 Specdb::NmrOneD 46435 Specdb::NmrOneD 46436 Specdb::NmrOneD 46437 Specdb::NmrOneD 46438 Specdb::NmrOneD 46439 Specdb::NmrOneD 46440 Specdb::NmrOneD 46441 Specdb::MsMs 300607 Specdb::MsMs 300608 Specdb::MsMs 300609 Specdb::MsMs 342919 Specdb::MsMs 342920 Specdb::MsMs 342921 Specdb::MsMs 2235909 Specdb::MsMs 2237458 Specdb::MsMs 2666887 Specdb::MsMs 2666888 Specdb::MsMs 2666889 Specdb::MsMs 3011502 Specdb::MsMs 3011503 Specdb::MsMs 3011504 HMDB41357 #<Reference:0x000055ce3209c120> Citrus Unknown generic Lime Type 1 specific Citrus aurantiifolia 159033