1.0 2010-04-08 22:04:35 UTC 2020-02-24 19:10:08 UTC FDB000495 Amaranthin Pigment from Amaranthus caudatus (love-lies-bleeding) and Amaranthus tricolor (Chinese spinach). Amaranthin is found in cereals and cereal products, green vegetables, and spinach. Amaranthin Amaranthin betacyanin Amaranthin pigment Amarantin C30H34N2O19 726.593 726.175576916 (1E)-5-({3-[(6-carboxy-3,4,5-trihydroxyoxan-2-yl)oxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl}oxy)-1-{2-[(4E)-2,6-dicarboxy-1,2,3,4-tetrahydropyridin-4-ylidene]ethylidene}-6-hydroxy-2,3-dihydro-1H-1λ⁵-indol-1-ylium-2-carboxylate (1E)-5-({3-[(6-carboxy-3,4,5-trihydroxyoxan-2-yl)oxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl}oxy)-1-{2-[(4E)-2,6-dicarboxy-2,3-dihydro-1H-pyridin-4-ylidene]ethylidene}-6-hydroxy-2,3-dihydro-1H-1λ⁵-indol-1-ylium-2-carboxylate 15167-84-7 OCC1OC(OC2=C(O)C=C3C(CC(C([O-])=O)\[N+]3=C/C=C3\CC(NC(=C3)C(O)=O)C(O)=O)=C2)C(OC2OC(C(O)C(O)C2O)C(O)=O)C(O)C1O InChI=1S/C30H34N2O19/c33-8-17-18(35)20(37)24(51-29-22(39)19(36)21(38)23(50-29)28(46)47)30(49-17)48-16-6-10-5-14(27(44)45)32(13(10)7-15(16)34)2-1-9-3-11(25(40)41)31-12(4-9)26(42)43/h1-3,6-7,12,14,17-24,29-30,33,35-39H,4-5,8H2,(H5,34,40,41,42,43,44,45,46,47) ATSKDYKYMQVTGH-UHFFFAOYSA-N belongs to the class of organic compounds known as betacyanins and derivatives. These are organic compounds containing a glycoside of indolium-2-carboxylic acid attached, with the nitrogen ring of the indolium ring attached to an ethylpyridine-2,6-dicarboxylic acid derivative. Betacyanins are red nitrogenous pigments found in certain plants, such as beetroots. Betacyanins and derivatives Organic compounds Alkaloids and derivatives Betalains Betacyanins and derivatives Aromatic heteropolycyclic compounds 1-hydroxy-2-unsubstituted benzenoids Acetals Alpha amino acids Amino acids Azacyclic compounds Beta hydroxy acids and derivatives Carbonyl compounds Carboxylic acid salts Carboxylic acids Dialkylamines Disaccharides Enamines Hydrocarbon derivatives Indolecarboxylic acids O-glucuronides O-glycosyl compounds Organic oxides Organic salts Organic zwitterions Organopnictogen compounds Oxacyclic compounds Oxanes Phenolic glycosides Polyols Primary alcohols Propargyl-type 1,3-dipolar organic compounds Pyrans Secondary alcohols Shiff bases Tetracarboxylic acids and derivatives Tetrahydropyridines 1-hydroxy-2-unsubstituted benzenoid 1-o-glucuronide Acetal Alcohol Alpha-amino acid Alpha-amino acid or derivatives Amine Amino acid Amino acid or derivatives Aromatic heteropolycyclic compound Azacycle Benzenoid Beta-hydroxy acid Betacyanin Carbonyl group Carboxylic acid Carboxylic acid derivative Carboxylic acid salt Disaccharide Enamine Glucuronic acid or derivatives Glycosyl compound Hydrocarbon derivative Hydropyridine Hydroxy acid Indole or derivatives Indolecarboxylic acid Indolecarboxylic acid derivative O-glucuronide O-glycosyl compound Organic 1,3-dipolar compound Organic nitrogen compound Organic oxide Organic oxygen compound Organic salt Organic zwitterion Organoheterocyclic compound Organonitrogen compound Organooxygen compound Organopnictogen compound Oxacycle Oxane Phenolic glycoside Polyol Primary alcohol Propargyl-type 1,3-dipolar organic compound Pyran Secondary alcohol Secondary aliphatic amine Secondary amine Shiff base Tetracarboxylic acid or derivatives Tetrahydropyridine logp -0.38 ALOGPS logs -3.14 ALOGPS solubility 5.71e-01 g/l ALOGPS logp -6.8 ChemAxon pka_strongest_acidic 1.44 ChemAxon pka_strongest_basic -3.9 ChemAxon iupac (1E)-5-({3-[(6-carboxy-3,4,5-trihydroxyoxan-2-yl)oxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl}oxy)-1-{2-[(4E)-2,6-dicarboxy-1,2,3,4-tetrahydropyridin-4-ylidene]ethylidene}-6-hydroxy-2,3-dihydro-1H-1λ⁵-indol-1-ylium-2-carboxylate ChemAxon average_mass 726.593 ChemAxon mono_mass 726.175576916 ChemAxon smiles OCC1OC(OC2=C(O)C=C3C(CC(C([O-])=O)\[N+]3=C/C=C3\CC(NC(=C3)C(O)=O)C(O)=O)=C2)C(OC2OC(C(O)C(O)C2O)C(O)=O)C(O)C1O ChemAxon formula C30H34N2O19 ChemAxon inchi InChI=1S/C30H34N2O19/c33-8-17-18(35)20(37)24(51-29-22(39)19(36)21(38)23(50-29)28(46)47)30(49-17)48-16-6-10-5-14(27(44)45)32(13(10)7-15(16)34)2-1-9-3-11(25(40)41)31-12(4-9)26(42)43/h1-3,6-7,12,14,17-24,29-30,33,35-39H,4-5,8H2,(H5,34,40,41,42,43,44,45,46,47) ChemAxon inchikey ATSKDYKYMQVTGH-UHFFFAOYSA-N ChemAxon polar_surface_area 345.6 ChemAxon refractivity 181.99 ChemAxon polarizability 68.54 ChemAxon rotatable_bond_count 10 ChemAxon acceptor_count 20 ChemAxon donor_count 11 ChemAxon physiological_charge -3 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 764022 Specdb::CMs 764023 Specdb::CMs 764024 Specdb::CMs 764025 Specdb::CMs 764026 Specdb::CMs 764027 Specdb::CMs 764028 Specdb::CMs 764029 Specdb::CMs 764030 Specdb::CMs 764031 Specdb::CMs 764032 Specdb::CMs 764033 Specdb::CMs 764034 Specdb::CMs 764035 Specdb::CMs 764036 Specdb::CMs 764037 Specdb::CMs 764038 Specdb::CMs 764039 Specdb::CMs 764040 Specdb::CMs 764041 Specdb::CMs 764042 Specdb::CMs 764043 Specdb::CMs 764044 Specdb::CMs 764045 Specdb::CMs 764046 Specdb::NmrOneD 15362 Specdb::NmrOneD 15363 Specdb::NmrOneD 15364 Specdb::NmrOneD 15365 Specdb::NmrOneD 15366 Specdb::NmrOneD 15367 Specdb::NmrOneD 15368 Specdb::NmrOneD 15369 Specdb::NmrOneD 15370 Specdb::NmrOneD 15371 Specdb::NmrOneD 15372 Specdb::NmrOneD 15373 Specdb::NmrOneD 15374 Specdb::NmrOneD 15375 Specdb::NmrOneD 15376 Specdb::NmrOneD 15377 Specdb::NmrOneD 15378 Specdb::NmrOneD 15379 Specdb::NmrOneD 15380 Specdb::NmrOneD 15381 Specdb::MsMs 47268 Specdb::MsMs 47269 Specdb::MsMs 47270 Specdb::MsMs 175128 Specdb::MsMs 175129 Specdb::MsMs 175130 Specdb::MsMs 2704571 Specdb::MsMs 2704572 Specdb::MsMs 2704573 Specdb::MsMs 3004005 Specdb::MsMs 3004006 Specdb::MsMs 3004007 HMDB29406 2621 #<Reference:0x000055ce2ea247f0> #<Reference:0x000055ce2ea13a68> Breakfast cereal Type 2 specific Cereals and cereal products Unknown generic Green vegetables Unknown generic Spinach Type 1 specific Spinacia oleracea 3562 UDP-glucuronosyltransferase 1-1 P22309 UGT1A1 UDP-glucuronosyltransferase 1-4 P22310 UGT1A4 UDP-glucuronosyltransferase 1-6 P19224 UGT1A6 UDP-glucuronosyltransferase 1-9 O60656 UGT1A9 UDP-glucuronosyltransferase 2B4 P06133 UGT2B4 UDP-glucuronosyltransferase 2B7 P16662 UGT2B7 Pigment 1227 An endogenous molecular entity that results in a colour of an organism as the consequence of the selective absorption of light.