1.0 2010-04-08 22:13:32 UTC 2019-11-26 03:15:46 UTC FDB018140 5-O-p-Coumaroylnigrumin Constituent of the seeds of Ribes nigrum (blackcurrant). 5-O-p-Coumaroylnigrumin is found in fruits. 5-O-p-Coumaroylnigrumin C20H23NO9 421.3979 421.137281339 (2Z)-2-cyano-2-(2-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}ethylidene)ethyl (2E)-3-(4-hydroxyphenyl)prop-2-enoate (2Z)-2-cyano-2-(2-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}ethylidene)ethyl (2E)-3-(4-hydroxyphenyl)prop-2-enoate OCC1OC(OC\C=C(/COC(=O)\C=C\C2=CC=C(O)C=C2)C#N)C(O)C(O)C1O InChI=1S/C20H23NO9/c21-9-13(11-29-16(24)6-3-12-1-4-14(23)5-2-12)7-8-28-20-19(27)18(26)17(25)15(10-22)30-20/h1-7,15,17-20,22-23,25-27H,8,10-11H2/b6-3+,13-7- CUXBICPZQSXIEU-RJFXKCBKSA-N belongs to the class of organic compounds known as tannins. These are naturally occurring polyphenols which be categorized into four main classes: hydrolyzable tannin (based on ellagic acid or gallic acid), condensed tannins (made of oligomeric or polymeric proanthocyanidins), complex tannins (made of a catechin bound to a gallotannin or elagitannin), and phlorotannins (oligomers of phloroglucinol). Tannins Organic compounds Phenylpropanoids and polyketides Tannins Aromatic heteromonocyclic compounds 1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids Acetals Benzoyl derivatives Carboxylic acid esters Galloyl esters Hexoses Hydrocarbon derivatives Monocarboxylic acids and derivatives Organic oxides Oxacyclic compounds Oxanes Polyols Primary alcohols Pyrogallols and derivatives Secondary alcohols m-Hydroxybenzoic acid esters p-Hydroxybenzoic acid alkyl esters 1-hydroxy-2-unsubstituted benzenoid 1-hydroxy-4-unsubstituted benzenoid Acetal Alcohol Aromatic heteromonocyclic compound Benzenetriol Benzenoid Benzoate ester Benzoic acid or derivatives Benzoyl Carboxylic acid derivative Carboxylic acid ester Gallic acid or derivatives Galloyl ester Hexose monosaccharide Hydrocarbon derivative M-hydroxybenzoic acid ester Monocarboxylic acid or derivatives Monocyclic benzene moiety Monosaccharide Organic oxide Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Oxane P-hydroxybenzoic acid alkyl ester P-hydroxybenzoic acid ester Phenol Polyol Primary alcohol Pyrogallol derivative Secondary alcohol Tannin a hydrolyzable tannin logp 0.47 ALOGPS logs -2.92 ALOGPS solubility 5.08e-01 g/l ALOGPS logp -0.062 ChemAxon pka_strongest_acidic 9.4 ChemAxon pka_strongest_basic -3 ChemAxon iupac (2Z)-2-cyano-2-(2-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}ethylidene)ethyl (2E)-3-(4-hydroxyphenyl)prop-2-enoate ChemAxon average_mass 421.3979 ChemAxon mono_mass 421.137281339 ChemAxon smiles OCC1OC(OC\C=C(/COC(=O)\C=C\C2=CC=C(O)C=C2)C#N)C(O)C(O)C1O ChemAxon formula C20H23NO9 ChemAxon inchi InChI=1S/C20H23NO9/c21-9-13(11-29-16(24)6-3-12-1-4-14(23)5-2-12)7-8-28-20-19(27)18(26)17(25)15(10-22)30-20/h1-7,15,17-20,22-23,25-27H,8,10-11H2/b6-3+,13-7- ChemAxon inchikey CUXBICPZQSXIEU-RJFXKCBKSA-N ChemAxon polar_surface_area 169.7 ChemAxon refractivity 103.81 ChemAxon polarizability 41.08 ChemAxon rotatable_bond_count 9 ChemAxon acceptor_count 9 ChemAxon donor_count 5 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 19908 Specdb::CMs 46012 Specdb::CMs 134050 Specdb::CMs 141784 Specdb::NmrOneD 28882 Specdb::NmrOneD 28883 Specdb::NmrOneD 28884 Specdb::NmrOneD 28885 Specdb::NmrOneD 28886 Specdb::NmrOneD 28887 Specdb::NmrOneD 28888 Specdb::NmrOneD 28889 Specdb::NmrOneD 28890 Specdb::NmrOneD 28891 Specdb::NmrOneD 28892 Specdb::NmrOneD 28893 Specdb::NmrOneD 28894 Specdb::NmrOneD 28895 Specdb::NmrOneD 28896 Specdb::NmrOneD 28897 Specdb::NmrOneD 28898 Specdb::NmrOneD 28899 Specdb::NmrOneD 28900 Specdb::NmrOneD 28901 Specdb::MsMs 70881 Specdb::MsMs 70882 Specdb::MsMs 70883 Specdb::MsMs 129444 Specdb::MsMs 129445 Specdb::MsMs 129446 Specdb::MsMs 2395851 Specdb::MsMs 2395852 Specdb::MsMs 2395853 Specdb::MsMs 2539760 Specdb::MsMs 2539761 Specdb::MsMs 2539762 HMDB38730 #<Reference:0x000055ce2f2d9bc0> Fruits Unknown generic