1.02010-04-08 22:09:36 UTC2019-11-26 03:04:52 UTCFDB011380CyclobrassininIsolated 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, 9CIC11H10N2S2234.341234.028539712-(methylsulfanyl)-4H,9H-[1,3]thiazino[6,5-b]indole2-(methylsulfanyl)-4H,9H-[1,3]thiazino[6,5-b]indole105748-58-1CSC1=NCC2=C(NC3=C2C=CC=C3)S1InChI=1S/C11H10N2S2/c1-14-11-12-6-8-7-4-2-3-5-9(7)13-10(8)15-11/h2-5,13H,6H2,1H3MVMVWNMQGBYIDM-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-alkylindolesOrganic compoundsOrganoheterocyclic compoundsIndoles and derivativesIndolesAromatic heteropolycyclic compoundsAryl thioethersAzacyclic compoundsBenzenoidsHeteroaromatic compoundsHydrocarbon derivativesOrganonitrogen compoundsOrganopnictogen compoundsPropargyl-type 1,3-dipolar organic compoundsPyrrolesSulfenyl compounds3-alkylindoleAromatic heteropolycyclic compoundAryl thioetherAzacycleBenzenoidHeteroaromatic compoundHydrocarbon derivativeOrganic 1,3-dipolar compoundOrganic nitrogen compoundOrganonitrogen compoundOrganopnictogen compoundOrganosulfur compoundPropargyl-type 1,3-dipolar organic compoundPyrroleSulfenyl compoundan indole-phytolexinlogp2.90logs-3.78solubility3.87e-02 g/lmelting_pointMp 136-137°logp3.6pka_strongest_acidic12.1pka_strongest_basic3.02iupac2-(methylsulfanyl)-4H,9H-[1,3]thiazino[6,5-b]indoleaverage_mass234.341mono_mass234.02853971smilesCSC1=NCC2=C(NC3=C2C=CC=C3)S1formulaC11H10N2S2inchiInChI=1S/C11H10N2S2/c1-14-11-12-6-8-7-4-2-3-5-9(7)13-10(8)15-11/h2-5,13H,6H2,1H3inchikeyMVMVWNMQGBYIDM-UHFFFAOYSA-Npolar_surface_area28.15refractivity67.4polarizability25.24rotatable_bond_count1acceptor_count1donor_count1physiological_charge0formal_charge0Specdb::CMs14648Specdb::CMs172699Specdb::MsMs14984Specdb::MsMs14985Specdb::MsMs14986Specdb::MsMs2295420Specdb::MsMs2295421Specdb::MsMs2295422Specdb::MsMs8312Specdb::MsMs8313Specdb::MsMs8314Specdb::MsMs2640709Specdb::MsMs2640710Specdb::MsMs2640711HMDB33352#<Reference:0x0000555674188880>BrassicasUnknowngeneric3705CauliflowerType 1specificBrassica oleracea var. botrytis3715Chinese cabbageType 1specificBrassica rapa3711Chinese mustardType 1specificBrassica juncea3707SwedeType 1specificBrassica napus3708