1.0 2010-04-08 22:12:28 UTC 2019-11-26 03:13:20 UTC FDB016494 Kaempferitrin Kaempferitrin is a chemical compound. It can be isolated from the leaves of Hedyotis verticillata. Kaempferitrin is found in tea and linden. Kaempferitrin Kaempferol 3,7-bisrhamnoside Kaempferol 3,7-dirhamnoside kaempferol-3,7-O-alpha-L-dirhamnoside Lespedin Lespenefril Lespenephril Lespenephryl C27H30O14 578.5187 578.163555668 5-hydroxy-2-(4-hydroxyphenyl)-3,7-bis[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]-4H-chromen-4-one kaempferitrin 482-38-2 CC1OC(OC2=CC(O)=C3C(=O)C(OC4OC(C)C(O)C(O)C4O)=C(OC3=C2)C2=CC=C(O)C=C2)C(O)C(O)C1O InChI=1S/C27H30O14/c1-9-17(30)20(33)22(35)26(37-9)39-13-7-14(29)16-15(8-13)40-24(11-3-5-12(28)6-4-11)25(19(16)32)41-27-23(36)21(34)18(31)10(2)38-27/h3-10,17-18,20-23,26-31,33-36H,1-2H3 PUPKKEQDLNREIM-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 Chromones Flavones Flavonoid-3-O-glycosides Heteroaromatic compounds Hexoses Hydrocarbon derivatives O-glycosyl compounds Organic oxides Oxacyclic compounds Oxanes Phenolic glycosides Polyols Pyranones and derivatives Secondary 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 Chromone Flavone Flavonoid-3-o-glycoside Flavonoid-7-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 Phenolic glycoside Polyol Pyran Pyranone Secondary alcohol Vinylogous acid a small molecule logp 0.45 ALOGPS logs -2.50 ALOGPS solubility 1.82e+00 g/l ALOGPS melting_point Mp 202-203° (185-186°) logp -0.016 ChemAxon pka_strongest_acidic 7.08 ChemAxon pka_strongest_basic -3.6 ChemAxon iupac 5-hydroxy-2-(4-hydroxyphenyl)-3,7-bis[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]-4H-chromen-4-one ChemAxon average_mass 578.5187 ChemAxon mono_mass 578.163555668 ChemAxon smiles CC1OC(OC2=CC(O)=C3C(=O)C(OC4OC(C)C(O)C(O)C4O)=C(OC3=C2)C2=CC=C(O)C=C2)C(O)C(O)C1O ChemAxon formula C27H30O14 ChemAxon inchi InChI=1S/C27H30O14/c1-9-17(30)20(33)22(35)26(37-9)39-13-7-14(29)16-15(8-13)40-24(11-3-5-12(28)6-4-11)25(19(16)32)41-27-23(36)21(34)18(31)10(2)38-27/h3-10,17-18,20-23,26-31,33-36H,1-2H3 ChemAxon inchikey PUPKKEQDLNREIM-UHFFFAOYSA-N ChemAxon polar_surface_area 225.06 ChemAxon refractivity 136.35 ChemAxon polarizability 56.04 ChemAxon rotatable_bond_count 5 ChemAxon acceptor_count 14 ChemAxon donor_count 8 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 10511 Specdb::CMs 45386 Specdb::MsMs 68325 Specdb::MsMs 68326 Specdb::MsMs 68327 Specdb::MsMs 126330 Specdb::MsMs 126331 Specdb::MsMs 126332 HMDB37438 #<Reference:0x000055ce315f5b40> Black tea Type 1 Green tea Type 1 Herbal tea Type 1 Linden Type 1 specific Tilia 64580 Red tea Type 1 Tea Type 1 specific Camellia sinensis 4442 Anti-inflammatory 370 A substance that reduces or suppresses inflammation.