1.0 2010-04-08 22:09:36 UTC 2019-11-26 03:04:52 UTC FDB011380 Cyclobrassinin Isolated from Chinese cabbage (Brassica campestris sspecies pekinensis)(Cruciferae) heads inoculated with Pseudomonas cichorii. Cyclobrassinin is found in many foods, some of which are chinese cabbage, brassicas, chinese mustard, and swede. 4,9-Dihydro-2-(methylthio)-1,3-thiazino[6,5-b]indole, 9CI C11H10N2S2 234.341 234.02853971 2-(methylsulfanyl)-4H,9H-[1,3]thiazino[6,5-b]indole 2-(methylsulfanyl)-4H,9H-[1,3]thiazino[6,5-b]indole 105748-58-1 CSC1=NCC2=C(NC3=C2C=CC=C3)S1 InChI=1S/C11H10N2S2/c1-14-11-12-6-8-7-4-2-3-5-9(7)13-10(8)15-11/h2-5,13H,6H2,1H3 MVMVWNMQGBYIDM-UHFFFAOYSA-N belongs to the class of organic compounds known as 3-alkylindoles. 3-alkylindoles are compounds containing an indole moiety that carries an alkyl chain at the 3-position. 3-alkylindoles Organic compounds Organoheterocyclic compounds Indoles and derivatives Indoles Aromatic heteropolycyclic compounds Aryl thioethers Azacyclic compounds Benzenoids Heteroaromatic compounds Hydrocarbon derivatives Organonitrogen compounds Organopnictogen compounds Propargyl-type 1,3-dipolar organic compounds Pyrroles Sulfenyl compounds 3-alkylindole Aromatic heteropolycyclic compound Aryl thioether Azacycle Benzenoid Heteroaromatic compound Hydrocarbon derivative Organic 1,3-dipolar compound Organic nitrogen compound Organonitrogen compound Organopnictogen compound Organosulfur compound Propargyl-type 1,3-dipolar organic compound Pyrrole Sulfenyl compound an indole-phytolexin logp 2.90 ALOGPS logs -3.78 ALOGPS solubility 3.87e-02 g/l ALOGPS melting_point Mp 136-137° logp 3.6 ChemAxon pka_strongest_acidic 12.1 ChemAxon pka_strongest_basic 3.02 ChemAxon iupac 2-(methylsulfanyl)-4H,9H-[1,3]thiazino[6,5-b]indole ChemAxon average_mass 234.341 ChemAxon mono_mass 234.02853971 ChemAxon smiles CSC1=NCC2=C(NC3=C2C=CC=C3)S1 ChemAxon formula C11H10N2S2 ChemAxon inchi InChI=1S/C11H10N2S2/c1-14-11-12-6-8-7-4-2-3-5-9(7)13-10(8)15-11/h2-5,13H,6H2,1H3 ChemAxon inchikey MVMVWNMQGBYIDM-UHFFFAOYSA-N ChemAxon polar_surface_area 28.15 ChemAxon refractivity 67.4 ChemAxon polarizability 25.24 ChemAxon rotatable_bond_count 1 ChemAxon acceptor_count 1 ChemAxon donor_count 1 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 8312 Specdb::MsMs 8313 Specdb::MsMs 8314 Specdb::MsMs 14984 Specdb::MsMs 14985 Specdb::MsMs 14986 Specdb::MsMs 2295420 Specdb::MsMs 2295421 Specdb::MsMs 2295422 Specdb::MsMs 2640709 Specdb::MsMs 2640710 Specdb::MsMs 2640711 Specdb::CMs 14648 Specdb::CMs 172699 HMDB33352 #<Reference:0x000055ce32632710> Brassicas Unknown generic 3705 Cauliflower Type 1 specific Brassica oleracea var. botrytis 3715 Chinese cabbage Type 1 specific Brassica rapa 3711 Chinese mustard Type 1 specific Brassica juncea 3707 Swede Type 1 specific Brassica napus 3708