1.0 2010-04-08 22:07:25 UTC 2020-02-24 19:10:47 UTC FDB007049 Cyanidin 3-rutinoside Antirrhinin is an anthocyanin. It is the 3-rutinoside of cyanidin. It can be found in blackcurrant. Antirrhinin Ceracyanin Cyanidin 3-O-rhamnosylglucoside Cyanidin 3-O-rutinoside Cyanidin 3-rhamnoglucoside Cyanidin 3-rutinoside Cyaninoside Keracyanin Keracyanin, INN Meralop Noctilux Nyctalux Oleocyanin Prunicyanin Sambucin Sambucine C27H31O15 595.526 595.166295322 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-({[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}methyl)oxan-2-yl]oxy}-1lambda4-chromen-1-ylium 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-({[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}methyl)oxan-2-yl]oxy}-1lambda4-chromen-1-ylium 28338-59-2 [H][C@@]1(C)O[C@@]([H])(OC[C@@]2([H])O[C@@]([H])(OC3=CC4=C(C=C(O)C=C4O)[O+]=C3C3=CC(O)=C(O)C=C3)[C@]([H])(O)[C@@]([H])(O)[C@]2([H])O)[C@]([H])(O)[C@]([H])(O)[C@@]1([H])O InChI=1S/C27H30O15/c1-9-19(32)21(34)23(36)26(39-9)38-8-18-20(33)22(35)24(37)27(42-18)41-17-7-12-14(30)5-11(28)6-16(12)40-25(17)10-2-3-13(29)15(31)4-10/h2-7,9,18-24,26-27,32-37H,8H2,1H3,(H3-,28,29,30,31)/p+1/t9-,18+,19-,20+,21+,22-,23+,24+,26+,27+/m0/s1 USNPULRDBDVJAO-FXCAAIILSA-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 Disaccharides Flavonoid-3-O-glycosides Heteroaromatic compounds Hydrocarbon derivatives O-glycosyl compounds Organic cations Oxacyclic compounds Oxanes Polyols 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 Disaccharide Flavonoid-3-o-glycoside Glycosyl compound Heteroaromatic compound Hydrocarbon derivative Hydroxyflavonoid Monocyclic benzene moiety O-glycosyl compound Organic cation Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Oxane Phenol Polyol Secondary alcohol Anthocyanidins Anthocyanidins and anthocyanins anthocyanin cation disaccharide derivative rutinoside logp 0.66 ALOGPS logs -2.85 ALOGPS solubility 8.95e-01 g/l ALOGPS logp -0.64 ChemAxon pka_strongest_acidic 6.39 ChemAxon pka_strongest_basic -3.7 ChemAxon iupac 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-({[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}methyl)oxan-2-yl]oxy}-1lambda4-chromen-1-ylium ChemAxon average_mass 595.526 ChemAxon mono_mass 595.166295322 ChemAxon smiles [H][C@@]1(C)O[C@@]([H])(OC[C@@]2([H])O[C@@]([H])(OC3=CC4=C(C=C(O)C=C4O)[O+]=C3C3=CC(O)=C(O)C=C3)[C@]([H])(O)[C@@]([H])(O)[C@]2([H])O)[C@]([H])(O)[C@]([H])(O)[C@@]1([H])O ChemAxon formula C27H31O15 ChemAxon inchi InChI=1S/C27H30O15/c1-9-19(32)21(34)23(36)26(39-9)38-8-18-20(33)22(35)24(37)27(42-18)41-17-7-12-14(30)5-11(28)6-16(12)40-25(17)10-2-3-13(29)15(31)4-10/h2-7,9,18-24,26-27,32-37H,8H2,1H3,(H3-,28,29,30,31)/p+1/t9-,18+,19-,20+,21+,22-,23+,24+,26+,27+/m0/s1 ChemAxon inchikey USNPULRDBDVJAO-FXCAAIILSA-O ChemAxon polar_surface_area 252.36 ChemAxon refractivity 147.13 ChemAxon polarizability 56.93 ChemAxon rotatable_bond_count 6 ChemAxon acceptor_count 15 ChemAxon donor_count 10 ChemAxon physiological_charge 0 ChemAxon formal_charge 1 ChemAxon Specdb::CMs 11223 Specdb::CMs 42493 Specdb::CMs 283042 Specdb::CMs 446193 Specdb::CMs 446194 Specdb::CMs 446195 Specdb::CMs 446196 Specdb::CMs 446197 Specdb::CMs 446198 Specdb::CMs 446199 Specdb::CMs 446200 Specdb::CMs 446201 Specdb::CMs 446202 Specdb::CMs 446203 Specdb::CMs 446204 Specdb::CMs 446205 Specdb::CMs 446206 Specdb::CMs 446207 Specdb::CMs 446208 Specdb::CMs 446209 Specdb::CMs 446210 Specdb::CMs 446211 Specdb::CMs 446212 Specdb::CMs 446213 Specdb::CMs 446214 Specdb::NmrOneD 163969 Specdb::NmrOneD 163970 Specdb::NmrOneD 163971 Specdb::NmrOneD 163972 Specdb::NmrOneD 163973 Specdb::NmrOneD 163974 Specdb::NmrOneD 163975 Specdb::NmrOneD 163976 Specdb::NmrOneD 163977 Specdb::NmrOneD 163978 Specdb::NmrOneD 163979 Specdb::NmrOneD 163980 Specdb::NmrOneD 163981 Specdb::NmrOneD 163982 Specdb::NmrOneD 163983 Specdb::NmrOneD 163984 Specdb::NmrOneD 163985 Specdb::NmrOneD 163986 Specdb::NmrOneD 163987 Specdb::NmrOneD 163988 Specdb::MsMs 87015 Specdb::MsMs 87016 Specdb::MsMs 87017 Specdb::MsMs 149433 Specdb::MsMs 149434 Specdb::MsMs 149435 Specdb::MsMs 438956 Specdb::MsMs 438957 Specdb::MsMs 438958 Specdb::MsMs 438959 Specdb::MsMs 439141 Specdb::MsMs 439142 Specdb::MsMs 447857 Specdb::MsMs 447858 Specdb::MsMs 448091 Specdb::MsMs 2227330 Specdb::MsMs 2227370 Specdb::MsMs 2229693 Specdb::MsMs 2229811 Specdb::MsMs 2231962 Specdb::MsMs 2232208 Specdb::MsMs 2234398 Specdb::MsMs 2234559 Specdb::MsMs 2253142 Specdb::MsMs 2253337 HMDB31458 16726 #<Reference:0x000055ce32870158> Andean blackberry Type 1 specific Rubus glaucus 630.0 630.0 630.0 mg/100 g Asparagus Type 1 specific Asparagus officinalis 4686 Banana Type 1 specific Musa acuminata 4641 Black chokeberry Type 1 specific Photinia melanocarpa 661339 0.0 0.0 0.0 mg/100 g Black elderberry Type 1 specific Sambucus nigra 4202 57.915368 110.0 5.830735207 mg/100 g Blackberry Type 1 specific Rubus 630.0 630.0 630.0 mg/100 g Blackcurrant Type 1 specific Ribes nigrum 78511 53.65719 160.787571498 0.0 mg/100 g Cassava Type 1 specific Manihot esculenta 3983 Cinnamon Type 1 specific Cinnamomum 13428 Cloudberry Type 1 specific Rubus chamaemorus 57936 1.865854 1.865853667 1.865853667 mg/100 g Common grape Type 1 specific Vitis vinifera 29760 0.0 0.0 0.0 mg/100 g Dock Type 1 specific Rumex 3618 European plum Type 1 specific Prunus domestica 3758 33.850099 33.850098997 33.850098997 mg/100 g French plantain Type 1 specific Musa X paradisiaca 89151 Garden rhubarb Type 1 specific Rheum rhabarbarum 3621 Gooseberry Type 1 specific Ribes uva-crispa 135518 2.034131 2.034131318 2.034131318 mg/100 g Highbush blueberry Type 1 specific Vaccinium corymbosum 69266 0.0 0.0 0.0 mg/100 g Lichee Type 1 specific Litchi chinensis 151069 Lowbush blueberry Type 1 specific Vaccinium angustifolium 472369 0.0 0.0 0.0 mg/100 g Nectarine Type 1 specific Prunus persica var. nucipersica 323851 0.0 0.0 0.0 mg/100 g Olive Type 1 specific Olea europaea 4146 72.352285 72.352284568 72.352284568 mg/100 g Peach (var.) Type 1 specific Prunus persica var. persica 323852 0.0 0.0 0.0 mg/100 g Pomegranate Type 1 specific Punica granatum 22663 Red raspberry Type 1 specific Rubus idaeus 32247 2.614195 4.949389613 0.278999984 mg/100 g Redcurrant Type 1 specific Ribes rubrum 175228 1.051672 2.103344798 0.0 mg/100 g Rice Type 1 specific Oryza sativa 4530 Rose hip Type 1 specific Rosa 3764 Rubus (Blackberry, Raspberry) Type 1 specific Rubus 23216 4.430833 8.861666799 0.0 mg/100 g Sour cherry Type 1 specific Prunus cerasus 140311 4.041667 6.983333349 1.100000024 mg/100 g 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 78.567187 143.269374751 13.864999771 mg/100 g Wheat Type 1 specific Triticum 4564 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.