1.0 2010-04-08 22:14:53 UTC 2019-11-26 03:18:39 UTC FDB020234 6-Hydroxykaempferol 3-glucoside Isolated from the dried petals of Carthamus tinctorius (safflower). 6-Hydroxykaempferol 3-glucoside is found in safflower, fats and oils, and herbs and spices. 3,4',5,6,7-Pentahydroxyflavone 3-glucoside 3,4',5,6,7-Pentahydroxyflavone 3-O-b-D-glucopyranoside 3,4',5,6,7-Pentahydroxyflavone 3-O-b-D-glucoside 6-Hydroxykaempferol 3-glucoside C21H20O12 464.3763 464.095476104 5,6,7-trihydroxy-2-(4-hydroxyphenyl)-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-4H-chromen-4-one 5,6,7-trihydroxy-2-(4-hydroxyphenyl)-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}chromen-4-one 145134-61-8 OCC1OC(OC2=C(OC3=C(C(O)=C(O)C(O)=C3)C2=O)C2=CC=C(O)C=C2)C(O)C(O)C1O InChI=1S/C21H20O12/c22-6-11-14(26)17(29)18(30)21(32-11)33-20-16(28)12-10(5-9(24)13(25)15(12)27)31-19(20)7-1-3-8(23)4-2-7/h1-5,11,14,17-18,21-27,29-30H,6H2 DIYGQKBUNSAYQA-UHFFFAOYSA-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 6-hydroxyflavonoids 7-hydroxyflavonoids Acetals Benzene and substituted derivatives Chromones Flavones Heteroaromatic compounds Hexoses Hydrocarbon derivatives O-glycosyl compounds Organic oxides Oxacyclic compounds Oxanes Polyols Primary alcohols Pyranones and derivatives Secondary alcohols Vinylogous acids 1-benzopyran 1-hydroxy-2-unsubstituted benzenoid 1-hydroxy-4-unsubstituted benzenoid 4'-hydroxyflavonoid 5-hydroxyflavonoid 6-hydroxyflavonoid 7-hydroxyflavonoid Acetal Alcohol Aromatic heteropolycyclic compound Benzenoid Benzopyran Chromone Flavone Flavonoid-3-o-glycoside Glycosyl compound Heteroaromatic compound Hexose monosaccharide Hydrocarbon derivative Hydroxyflavonoid Monocyclic benzene moiety Monosaccharide O-glycosyl compound Organic oxide Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Oxane Phenol Polyol Primary alcohol Pyran Pyranone Secondary alcohol Vinylogous acid logp 0.53 ALOGPS logs -2.28 ALOGPS solubility 2.46e+00 g/l ALOGPS melting_point Mp 263-265° logp -0.14 ChemAxon pka_strongest_acidic 6.61 ChemAxon pka_strongest_basic -3 ChemAxon iupac 5,6,7-trihydroxy-2-(4-hydroxyphenyl)-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-4H-chromen-4-one ChemAxon average_mass 464.3763 ChemAxon mono_mass 464.095476104 ChemAxon smiles OCC1OC(OC2=C(OC3=C(C(O)=C(O)C(O)=C3)C2=O)C2=CC=C(O)C=C2)C(O)C(O)C1O ChemAxon formula C21H20O12 ChemAxon inchi InChI=1S/C21H20O12/c22-6-11-14(26)17(29)18(30)21(32-11)33-20-16(28)12-10(5-9(24)13(25)15(12)27)31-19(20)7-1-3-8(23)4-2-7/h1-5,11,14,17-18,21-27,29-30H,6H2 ChemAxon inchikey DIYGQKBUNSAYQA-UHFFFAOYSA-N ChemAxon polar_surface_area 206.6 ChemAxon refractivity 109.28 ChemAxon polarizability 43.51 ChemAxon rotatable_bond_count 4 ChemAxon acceptor_count 12 ChemAxon donor_count 8 ChemAxon physiological_charge -1 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 309859 Specdb::MsMs 309860 Specdb::MsMs 309861 Specdb::MsMs 354409 Specdb::MsMs 354410 Specdb::MsMs 354411 Specdb::MsMs 3056645 Specdb::MsMs 3056646 Specdb::MsMs 3056647 Specdb::MsMs 3111221 Specdb::MsMs 3111222 Specdb::MsMs 3111223 Specdb::CMs 19713 Specdb::CMs 46789 Specdb::CMs 173715 Specdb::NmrOneD 40662 Specdb::NmrOneD 40663 Specdb::NmrOneD 40664 Specdb::NmrOneD 40665 Specdb::NmrOneD 40666 Specdb::NmrOneD 40667 Specdb::NmrOneD 40668 Specdb::NmrOneD 40669 Specdb::NmrOneD 40670 Specdb::NmrOneD 40671 Specdb::NmrOneD 40672 Specdb::NmrOneD 40673 Specdb::NmrOneD 40674 Specdb::NmrOneD 40675 Specdb::NmrOneD 40676 Specdb::NmrOneD 40677 Specdb::NmrOneD 40678 Specdb::NmrOneD 40679 Specdb::NmrOneD 40680 Specdb::NmrOneD 40681 HMDB40478 #<Reference:0x000055ce33603298> Fats and oils Unknown generic Herbs and Spices Unknown generic Safflower Type 1 specific Carthamus tinctorius 4222