1.0 2010-04-08 22:12:52 UTC 2019-11-26 03:14:19 UTC FDB017159 Cyanidin 3-galactoside Isolated from numerous plants including cranberry (Vaccinium vitis-idaea), red pears and pistachio (Pistacia vera). Cyanidin 3-galactoside is found in many foods, some of which are corn, blackcurrant, strawberry, and pomes. Cyanidin 3-galactoside Cyanidin 3-O-beta-D-galactopyranoside Cyanidin 3-O-galactoside Idaein Idein C21H21O11 449.3848 449.108386514 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-{[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1λ⁴-chromen-1-ylium cyanidin 3-O-β-D-galactoside 27661-36-5 OC[C@H]1O[C@@H](OC2=CC3=C(C=C(O)C=C3O)[O+]=C2C2=CC(O)=C(O)C=C2)[C@H](O)[C@@H](O)[C@H]1O InChI=1S/C21H20O11/c22-7-16-17(27)18(28)19(29)21(32-16)31-15-6-10-12(25)4-9(23)5-14(10)30-20(15)8-1-2-11(24)13(26)3-8/h1-6,16-19,21-22,27-29H,7H2,(H3-,23,24,25,26)/p+1/t16-,17+,18+,19-,21-/m1/s1 RKWHWFONKJEUEF-WVXKDWSHSA-O belongs to the class of organic compounds known as anthocyanidin-3-o-glycosides. These are phenolic compounds containing one anthocyanidin moiety which is O-glycosidically linked to a carbohydrate moiety at the C3-position. Anthocyanidin-3-O-glycosides Organic compounds Phenylpropanoids and polyketides Flavonoids Flavonoid glycosides Aromatic heteropolycyclic compounds 1-benzopyrans 1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids 3'-hydroxyflavonoids 4'-hydroxyflavonoids 5-hydroxyflavonoids 7-hydroxyflavonoids Acetals Anthocyanidins Benzene and substituted derivatives Catechols Flavonoid-3-O-glycosides Heteroaromatic compounds Hexoses Hydrocarbon derivatives O-glycosyl compounds Organic cations Oxacyclic compounds Oxanes Polyols Primary alcohols Secondary alcohols 1-benzopyran 1-hydroxy-2-unsubstituted benzenoid 1-hydroxy-4-unsubstituted benzenoid 3'-hydroxyflavonoid 4'-hydroxyflavonoid 5-hydroxyflavonoid 7-hydroxyflavonoid Acetal Alcohol Anthocyanidin Anthocyanidin-3-o-glycoside Aromatic heteropolycyclic compound Benzenoid Benzopyran Catechol Flavonoid-3-o-glycoside Glycosyl compound Heteroaromatic compound Hexose monosaccharide Hydrocarbon derivative Hydroxyflavonoid Monocyclic benzene moiety Monosaccharide O-glycosyl compound Organic cation Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Oxane Phenol Polyol Primary alcohol Secondary alcohol Anthocyanidins Anthocyanidins and anthocyanins anthocyanin cation beta-D-galactoside monosaccharide derivative logp 0.98 ALOGPS logs -2.90 ALOGPS solubility 6.04e-01 g/l ALOGPS logp 0.39 ChemAxon pka_strongest_acidic 6.39 ChemAxon pka_strongest_basic -3 ChemAxon iupac 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-{[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1λ⁴-chromen-1-ylium ChemAxon average_mass 449.3848 ChemAxon mono_mass 449.108386514 ChemAxon smiles OC[C@H]1O[C@@H](OC2=CC3=C(C=C(O)C=C3O)[O+]=C2C2=CC(O)=C(O)C=C2)[C@H](O)[C@@H](O)[C@H]1O ChemAxon formula C21H21O11 ChemAxon inchi InChI=1S/C21H20O11/c22-7-16-17(27)18(28)19(29)21(32-16)31-15-6-10-12(25)4-9(23)5-14(10)30-20(15)8-1-2-11(24)13(26)3-8/h1-6,16-19,21-22,27-29H,7H2,(H3-,23,24,25,26)/p+1/t16-,17+,18+,19-,21-/m1/s1 ChemAxon inchikey RKWHWFONKJEUEF-WVXKDWSHSA-O ChemAxon polar_surface_area 193.44 ChemAxon refractivity 116.26 ChemAxon polarizability 43.04 ChemAxon rotatable_bond_count 4 ChemAxon acceptor_count 10 ChemAxon donor_count 8 ChemAxon physiological_charge 0 ChemAxon formal_charge 1 ChemAxon Specdb::CMs 12494 Specdb::CMs 45623 Specdb::CMs 156376 Specdb::CMs 156378 Specdb::CMs 156380 Specdb::CMs 156382 Specdb::CMs 161108 Specdb::CMs 280100 Specdb::MsMs 74364 Specdb::MsMs 74365 Specdb::MsMs 74366 Specdb::MsMs 133731 Specdb::MsMs 133732 Specdb::MsMs 133733 Specdb::MsMs 438999 Specdb::MsMs 439000 Specdb::MsMs 439001 Specdb::MsMs 439002 Specdb::MsMs 439214 Specdb::MsMs 447897 Specdb::MsMs 447898 Specdb::MsMs 448155 Specdb::MsMs 3016578 Specdb::MsMs 3016579 Specdb::MsMs 3016580 HMDB37977 27475 #<Reference:0x000055ce309504d0> Amaranth Type 1 specific Amaranthus 3564 American cranberry Type 1 specific Vaccinium macrocarpon 13750 22559.95 22559.95 22559.95 mg/100 g Annual wild rice Type 1 specific Zizania aquatica 75727 Apple Type 1 specific Malus pumila 283210 0.270467 0.811399986 0.0 mg/100 g Barley Type 1 specific Hordeum vulgare 4513 Bilberry Type 1 specific Vaccinium myrtillus 180763 41.25 41.25 41.25 mg/100 g Black chokeberry Type 1 specific Photinia melanocarpa 661339 557.665009 557.665008545 557.665008545 mg/100 g Black elderberry Type 1 specific Sambucus nigra 4202 0.0 0.0 0.0 mg/100 g Black tea Type 1 Blackcurrant Type 1 specific Ribes nigrum 78511 0.0 0.0 0.0 mg/100 g Breakfast cereal Type 2 specific Bulgur Type 2 specific Canada blueberry Type 1 specific Vaccinium myrtilloides 1503870 Carrot Type 1 specific Daucus carota ssp. sativus 79200 Cereals and cereal products Unknown generic Cocoa bean Type 1 specific Theobroma cacao 3641 Common buckwheat Type 1 specific Fagopyrum esculentum 3617 Common grape Type 1 specific Vitis vinifera 29760 0.0 0.0 0.0 mg/100 g Common wheat Type 1 specific Triticum aestivum 4565 Corn Type 1 specific Zea mays 4577 Flour Type 2 specific Fruits Unknown generic Gooseberry Type 1 specific Ribes uva-crispa 135518 0.00625 0.00625 0.00625 mg/100 g Green tea Type 1 Hard wheat Type 1 specific Triticum durum 4567 Herbal tea Type 1 Highbush blueberry Type 1 specific Vaccinium corymbosum 69266 5.406 5.405999947 5.405999947 mg/100 g Lingonberry Type 1 specific Vaccinium vitis-idaea 180772 48.689999 48.689998627 48.689998627 mg/100 g Lowbush blueberry Type 1 specific Vaccinium angustifolium 472369 4.511 7.988999915 1.033000022 mg/100 g Millet Type 1 specific Panicum miliaceum 4540 Nuts Unknown generic Oat Type 1 specific Avena sativa 4498 Oriental wheat Type 1 specific Triticum turanicum 376534 Pear Type 1 specific Pyrus communis 23211 Pistachio Type 1 specific Pistacia vera 55513 0.0 0.0 0.0 mg/100 g Pomes Unknown generic Quinoa Type 1 specific Chenopodium quinoa 63459 Rabbiteye blueberry Type 1 specific Vaccinium virgatum Red raspberry Type 1 specific Rubus idaeus 32247 0.0 0.0 0.0 mg/100 g Red rice Type 1 specific Oryza rufipogon 4529 Red tea Type 1 Redcurrant Type 1 specific Ribes rubrum 175228 0.0 0.0 0.0 mg/100 g Rice Type 1 specific Oryza sativa 4530 Rubus (Blackberry, Raspberry) Type 1 specific Rubus 23216 0.0 0.0 0.0 mg/100 g Rye Type 1 specific Secale cereale 4550 Sorghum Type 1 specific Sorghum bicolor 4558 Soy bean Type 1 specific Glycine max 3847 Sparkleberry Type 1 specific Vaccinium arboreum 229201 Spelt Type 1 specific Triticum spelta 58933 Strawberry Type 1 specific Fragaria X ananassa 3747 0.0 0.0 0.0 mg/100 g Summer grape Type 1 specific Vitis aestivalis 3605 0.0 0.0 0.0 mg/100 g Sweet cherry Type 1 specific Prunus avium 42229 0.0 0.0 0.0 mg/100 g Tartary buckwheat Type 1 specific Fagopyrum tataricum 62330 Tea Type 1 specific Camellia sinensis 4442 Teff Type 1 specific Eragrostis tef 110835 Triticale Type 1 specific X Triticosecale rimpaui Vaccinium (Blueberry, Cranberry, Huckleberry) Type 1 specific Vaccinium 13749 Wheat Type 1 specific Triticum 4564 Wild carrot Type 1 specific Daucus carota 4039 Wild rice Type 1 specific Zizania 15949 Anti capillary-fragility 160 Anti-inflammatory 370 A substance that reduces or suppresses inflammation. Anti-oxidant 502 A substance that opposes oxidation or inhibits reactions brought about by dioxygen or peroxides. In European countries, E-numbers for permitted antioxidant food additives are from E 300 to E 324. Pigment 1227 An endogenous molecular entity that results in a colour of an organism as the consequence of the selective absorption of light.