1.0 2010-04-08 22:10:18 UTC 2019-11-26 03:07:21 UTC FDB012670 Sennidin C Aglycone from Sennoside C. Isolated from Chinese rhubarb (Rheum palmatum). Sennidin C is found in green vegetables. N-(2,4-Dimethoxy-phenyl)-2-methyl-3-nitro-benzamide N-(2,4-dimethoxyphenyl)-2-methyl-3-nitrobenzamide N-(2,4-dimethoxyphenyl)-3-nitro-2-methylbenzamide Sennidin C C30H20O9 524.4744 524.110732238 9-[4,5-dihydroxy-2-(hydroxymethyl)-10-oxo-9,10-dihydroanthracen-9-yl]-4,5-dihydroxy-10-oxo-9,10-dihydroanthracene-2-carboxylic acid 9-[4,5-dihydroxy-2-(hydroxymethyl)-10-oxo-9H-anthracen-9-yl]-4,5-dihydroxy-10-oxo-9H-anthracene-2-carboxylic acid 5355-93-1 OCC1=CC2=C(C(O)=C1)C(=O)C1=C(C=CC=C1O)C2C1C2=C(C(O)=CC=C2)C(=O)C2=C1C=C(C=C2O)C(O)=O InChI=1S/C30H20O9/c31-11-12-7-16-22(14-3-1-5-18(32)24(14)28(36)26(16)20(34)8-12)23-15-4-2-6-19(33)25(15)29(37)27-17(23)9-13(30(38)39)10-21(27)35/h1-10,22-23,31-35H,11H2,(H,38,39) PXSKWUOTHDALDG-UHFFFAOYSA-N belongs to the class of organic compounds known as anthracenecarboxylic acids. These are organic compounds containing a carboxylic acid group attached to an anthracene ring system. Anthracenecarboxylic acids Organic compounds Benzenoids Anthracenes Anthracenecarboxylic acids and derivatives Aromatic homopolycyclic compounds 1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids Aromatic alcohols Aryl ketones Carboxylic acids Hydrocarbon derivatives Hydroxybenzoic acid derivatives Monocarboxylic acids and derivatives Naphthalenecarboxylic acids Organic oxides Primary alcohols Vinylogous acids 1-hydroxy-2-unsubstituted benzenoid 1-hydroxy-4-unsubstituted benzenoid 2-naphthalenecarboxylic acid 2-naphthalenecarboxylic acid or derivatives Alcohol Anthracene carboxylic acid Aromatic alcohol Aromatic homopolycyclic compound Aryl ketone Carboxylic acid Carboxylic acid derivative Hydrocarbon derivative Hydroxybenzoic acid Ketone Monocarboxylic acid or derivatives Organic oxide Organic oxygen compound Organooxygen compound Primary alcohol Vinylogous acid logp 3.47 ALOGPS logs -4.93 ALOGPS solubility 6.22e-03 g/l ALOGPS melting_point Mp 230-240° dec. logp 6.6 ChemAxon pka_strongest_acidic 3.53 ChemAxon pka_strongest_basic -2.9 ChemAxon iupac 9-[4,5-dihydroxy-2-(hydroxymethyl)-10-oxo-9,10-dihydroanthracen-9-yl]-4,5-dihydroxy-10-oxo-9,10-dihydroanthracene-2-carboxylic acid ChemAxon average_mass 524.4744 ChemAxon mono_mass 524.110732238 ChemAxon smiles OCC1=CC2=C(C(O)=C1)C(=O)C1=C(C=CC=C1O)C2C1C2=C(C(O)=CC=C2)C(=O)C2=C1C=C(C=C2O)C(O)=O ChemAxon formula C30H20O9 ChemAxon inchi InChI=1S/C30H20O9/c31-11-12-7-16-22(14-3-1-5-18(32)24(14)28(36)26(16)20(34)8-12)23-15-4-2-6-19(33)25(15)29(37)27-17(23)9-13(30(38)39)10-21(27)35/h1-10,22-23,31-35H,11H2,(H,38,39) ChemAxon inchikey PXSKWUOTHDALDG-UHFFFAOYSA-N ChemAxon polar_surface_area 172.59 ChemAxon refractivity 140.71 ChemAxon polarizability 50.36 ChemAxon rotatable_bond_count 3 ChemAxon acceptor_count 9 ChemAxon donor_count 6 ChemAxon physiological_charge -1 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 16571 Specdb::CMs 43811 Specdb::MsMs 86184 Specdb::MsMs 86185 Specdb::MsMs 86186 Specdb::MsMs 148437 Specdb::MsMs 148438 Specdb::MsMs 148439 Specdb::MsMs 2788858 Specdb::MsMs 2788859 Specdb::MsMs 2788860 Specdb::MsMs 2920381 Specdb::MsMs 2920382 Specdb::MsMs 2920383 HMDB34318 #<Reference:0x000055ce31db9638> Green vegetables Unknown generic