1.0 2010-04-08 22:10:39 UTC 2019-11-26 03:08:18 UTC FDB013321 Wasalexin B Constituent of Wasabia japonica (Japanese horseradish). Wasalexin B is found in brassicas and wasabi. Wasalexin B C13H14N2O2S2 294.392 294.049669082 (3Z)-3-({[bis(methylsulfanyl)methylidene]amino}methylidene)-1-methoxy-2,3-dihydro-1H-indol-2-one (3Z)-3-({[bis(methylsulfanyl)methylidene]amino}methylidene)-1-methoxyindol-2-one CON1C(=O)\C(=C/N=C(SC)SC)C2=CC=CC=C12 InChI=1S/C13H14N2O2S2/c1-17-15-11-7-5-4-6-9(11)10(12(15)16)8-14-13(18-2)19-3/h4-8H,1-3H3/b10-8- JJQPWCPYNJNWID-NTMALXAHSA-N belongs to the class of organic compounds known as indoles and derivatives. These are organic compounds containing an indole, which is a bicyclic ring system made up of a six-membered benzene ring fused to a five-membered nitrogen-containing pyrrole ring. Indoles and derivatives Organic compounds Organoheterocyclic compounds Indoles and derivatives Aromatic heteropolycyclic compounds Azacyclic compounds Benzenoids Carbonyl compounds Carboxylic acids and derivatives Hydrocarbon derivatives Organic oxides Organonitrogen compounds Organopnictogen compounds Propargyl-type 1,3-dipolar organic compounds Sulfenyl compounds Aromatic heteropolycyclic compound Azacycle Benzenoid Carbonyl group Carboxylic acid derivative Hydrocarbon derivative Indole or derivatives 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 Sulfenyl compound logp 2.21 ALOGPS logs -3.78 ALOGPS solubility 4.93e-02 g/l ALOGPS logp 3.36 ChemAxon pka_strongest_basic 2.73 ChemAxon iupac (3Z)-3-({[bis(methylsulfanyl)methylidene]amino}methylidene)-1-methoxy-2,3-dihydro-1H-indol-2-one ChemAxon average_mass 294.392 ChemAxon mono_mass 294.049669082 ChemAxon smiles CON1C(=O)\C(=C/N=C(SC)SC)C2=CC=CC=C12 ChemAxon formula C13H14N2O2S2 ChemAxon inchi InChI=1S/C13H14N2O2S2/c1-17-15-11-7-5-4-6-9(11)10(12(15)16)8-14-13(18-2)19-3/h4-8H,1-3H3/b10-8- ChemAxon inchikey JJQPWCPYNJNWID-NTMALXAHSA-N ChemAxon polar_surface_area 41.9 ChemAxon refractivity 80.73 ChemAxon polarizability 30.76 ChemAxon rotatable_bond_count 4 ChemAxon acceptor_count 3 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 18480 Specdb::CMs 136095 Specdb::CMs 143829 Specdb::MsMs 66171 Specdb::MsMs 66172 Specdb::MsMs 66173 Specdb::MsMs 123669 Specdb::MsMs 123670 Specdb::MsMs 123671 Specdb::MsMs 2691266 Specdb::MsMs 2691267 Specdb::MsMs 2691268 Specdb::MsMs 2990795 Specdb::MsMs 2990796 Specdb::MsMs 2990797 HMDB34768 #<Reference:0x000055ce2edf88b8> Brassicas Unknown generic 3705 Wasabi Type 1 specific Wasabia japonica 75806