1.0 2010-04-08 22:13:27 UTC 2025-11-19 02:07:59 UTC FDB018031 Methoxybrassenin B Stress metabolite isolated from cabbage inoculated with Pseudomonas cichorii. Methoxybrassenin B is found in brassicas. C13H14N2O2S2 294.392 294.049669082 N-[bis(methylsulfanyl)methylidene]-1-methoxy-1H-indole-3-carboxamide N-[bis(methylsulfanyl)methylidene]-1-methoxyindole-3-carboxamide 142449-75-0 CON1C=C(C(=O)N=C(SC)SC)C2=CC=CC=C12 InChI=1S/C13H14N2O2S2/c1-17-15-8-10(9-6-4-5-7-11(9)15)12(16)14-13(18-2)19-3/h4-8H,1-3H3 NFGCTENDKLNJTI-UHFFFAOYSA-N belongs to the class of organic compounds known as indolecarboxamides and derivatives. Indolecarboxamides and derivatives are compounds containing a carboxamide group attached to an indole. Indolecarboxamides and derivatives Organic compounds Organoheterocyclic compounds Indoles and derivatives Indolecarboxylic acids and derivatives Aromatic heteropolycyclic compounds Azacyclic compounds Benzenoids Carboxylic acids and derivatives Heteroaromatic compounds Hydrocarbon derivatives Indoles Organic oxides Organonitrogen compounds Organooxygen compounds Organopnictogen compounds Propargyl-type 1,3-dipolar organic compounds Pyrrole carboxamides Substituted pyrroles Sulfenyl compounds Vinylogous amides Aromatic heteropolycyclic compound Azacycle Benzenoid Carboxylic acid derivative Heteroaromatic compound Hydrocarbon derivative Indole Indolecarboxamide derivative Organic 1,3-dipolar compound Organic nitrogen compound Organic oxide Organic oxygen compound Organonitrogen compound Organooxygen compound Organopnictogen compound Organosulfur compound Propargyl-type 1,3-dipolar organic compound Pyrrole Pyrrole-3-carboxamide Pyrrole-3-carboxylic acid or derivatives Substituted pyrrole Sulfenyl compound Vinylogous amide logp 2.70 ALOGPS logs -3.78 ALOGPS solubility 4.86e-02 g/l ALOGPS melting_point Mp 73-74° logp 3.26 ChemAxon pka_strongest_basic -2.4 ChemAxon iupac N-[bis(methylsulfanyl)methylidene]-1-methoxy-1H-indole-3-carboxamide ChemAxon average_mass 294.392 ChemAxon mono_mass 294.049669082 ChemAxon smiles CON1C=C(C(=O)N=C(SC)SC)C2=CC=CC=C12 ChemAxon formula C13H14N2O2S2 ChemAxon inchi InChI=1S/C13H14N2O2S2/c1-17-15-8-10(9-6-4-5-7-11(9)15)12(16)14-13(18-2)19-3/h4-8H,1-3H3 ChemAxon inchikey NFGCTENDKLNJTI-UHFFFAOYSA-N ChemAxon polar_surface_area 43.59 ChemAxon refractivity 82.47 ChemAxon polarizability 30.75 ChemAxon rotatable_bond_count 4 ChemAxon acceptor_count 3 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 21447 Specdb::CMs 152771 Specdb::MsMs 46677 Specdb::MsMs 46678 Specdb::MsMs 46679 Specdb::MsMs 166944 Specdb::MsMs 166945 Specdb::MsMs 166946 Specdb::MsMs 2744118 Specdb::MsMs 2744119 Specdb::MsMs 2744120 Specdb::MsMs 2934908 Specdb::MsMs 2934909 Specdb::MsMs 2934910 HMDB38636 Brassicas Unknown generic 3705