1.0 2010-04-08 22:12:56 UTC 2019-11-26 03:14:20 UTC FDB017174 Cyananin Present in cultivated red potatoes (Solanum phureja). Cyananin is found in potato. Cyananin C16H10Cl2N2O5 381.167 379.996676854 5,7-dichloro-3-hydroxy-3-[2-(3-nitrophenyl)-2-oxoethyl]-2,3-dihydro-1H-indol-2-one 5,7-dichloro-3-hydroxy-3-[2-(3-nitrophenyl)-2-oxoethyl]-1H-indol-2-one OC1(CC(=O)C2=CC(=CC=C2)[N+]([O-])=O)C(=O)NC2=C(Cl)C=C(Cl)C=C12 InChI=1S/C16H10Cl2N2O5/c17-9-5-11-14(12(18)6-9)19-15(22)16(11,23)7-13(21)8-2-1-3-10(4-8)20(24)25/h1-6,23H,7H2,(H,19,22) CGVKNDAEXKLQAY-UHFFFAOYSA-N 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 5-hydroxyflavonoids 7-hydroxyflavonoids Acetals Anthocyanidins Anthocyanin-4'-O-glycosides Flavonoid-3-O-glycosides Heteroaromatic compounds Hydrocarbon derivatives Monosaccharides O-glycosyl compounds Organic cations Oxacyclic compounds Oxanes Phenol ethers Phenolic glycosides Phenoxy compounds Polyols Primary alcohols Secondary alcohols 1-benzopyran 1-hydroxy-2-unsubstituted benzenoid 1-hydroxy-4-unsubstituted benzenoid 3'-hydroxyflavonoid 5-hydroxyflavonoid 7-hydroxyflavonoid Acetal Alcohol Anthocyanidin Anthocyanidin-3-o-glycoside Anthocyanidin-4p-o-glycoside Aromatic heteropolycyclic compound Benzenoid Benzopyran Flavonoid-3-o-glycoside Glycosyl compound Heteroaromatic compound Hydrocarbon derivative Hydroxyflavonoid Monocyclic benzene moiety Monosaccharide O-glycosyl compound Organic cation Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Oxane Phenol Phenol ether Phenolic glycoside Phenoxy compound Polyol Primary alcohol Secondary alcohol logp 2.94 ALOGPS logs -4.79 ALOGPS solubility 6.14e-03 g/l ALOGPS logp 3.05 ChemAxon pka_strongest_acidic 10.71 ChemAxon pka_strongest_basic -4.3 ChemAxon iupac 5,7-dichloro-3-hydroxy-3-[2-(3-nitrophenyl)-2-oxoethyl]-2,3-dihydro-1H-indol-2-one ChemAxon average_mass 381.167 ChemAxon mono_mass 379.996676854 ChemAxon smiles OC1(CC(=O)C2=CC(=CC=C2)[N+]([O-])=O)C(=O)NC2=C(Cl)C=C(Cl)C=C12 ChemAxon formula C16H10Cl2N2O5 ChemAxon inchi InChI=1S/C16H10Cl2N2O5/c17-9-5-11-14(12(18)6-9)19-15(22)16(11,23)7-13(21)8-2-1-3-10(4-8)20(24)25/h1-6,23H,7H2,(H,19,22) ChemAxon inchikey CGVKNDAEXKLQAY-UHFFFAOYSA-N ChemAxon polar_surface_area 112.22 ChemAxon refractivity 92.42 ChemAxon polarizability 34.6 ChemAxon rotatable_bond_count 4 ChemAxon acceptor_count 5 ChemAxon donor_count 2 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 17441 Specdb::CMs 45627 Specdb::CMs 136449 Specdb::CMs 144183 Specdb::MsMs 52782 Specdb::MsMs 52783 Specdb::MsMs 52784 Specdb::MsMs 170964 Specdb::MsMs 170965 Specdb::MsMs 170966 Specdb::MsMs 2713372 Specdb::MsMs 2713373 Specdb::MsMs 2713374 Specdb::MsMs 2964657 Specdb::MsMs 2964658 Specdb::MsMs 2964659 HMDB37985 #<Reference:0x000055ce317e6c38> Potato Type 1 specific Solanum tuberosum 4113