1.0 2010-04-08 22:15:21 UTC 2019-11-26 03:19:39 UTC FDB020934 Dehydro-4-methoxycyclobrassinin Isolated from roots of the turnip Brassica campestris sspecies rapa (Cruciferae) inoculated with Pseudomonas cichorii. Dehydro-4-methoxycyclobrassinin is found in brassicas and root vegetables. Dehydro-4-methoxycyclobrassinin C12H10N2OS2 262.351 262.023454332 5-methoxy-2-(methylsulfanyl)-[1,3]thiazino[6,5-b]indole 5-methoxy-2-(methylsulfanyl)-[1,3]thiazino[6,5-b]indole 154933-74-1 COC1=CC=CC2=C1C1=CN=C(SC)SC1=N2 InChI=1S/C12H10N2OS2/c1-15-9-5-3-4-8-10(9)7-6-13-12(16-2)17-11(7)14-8/h3-6H,1-2H3 JDYSKRAQSOYTDY-UHFFFAOYSA-N belongs to the class of organic compounds known as indoles. Indoles are compounds containing an indole moiety, which consists of pyrrole ring fused to benzene to form 2,3-benzopyrrole. Indoles Organic compounds Organoheterocyclic compounds Indoles and derivatives Indoles Aromatic heteropolycyclic compounds Alkyl aryl ethers Alkylarylthioethers Anisoles Azacyclic compounds Heteroaromatic compounds Hydrocarbon derivatives Organonitrogen compounds Organopnictogen compounds Pyrroles Sulfenyl compounds Alkyl aryl ether Alkylarylthioether Anisole Aromatic heteropolycyclic compound Aryl thioether Azacycle Benzenoid Ether Heteroaromatic compound Hydrocarbon derivative Indole Organic nitrogen compound Organic oxygen compound Organonitrogen compound Organooxygen compound Organopnictogen compound Organosulfur compound Pyrrole Sulfenyl compound Thioether logp 2.49 ALOGPS logs -3.55 ALOGPS solubility 7.34e-02 g/l ALOGPS melting_point Mp 142-143° logp 3.41 ChemAxon pka_strongest_basic 3.61 ChemAxon iupac 5-methoxy-2-(methylsulfanyl)-[1,3]thiazino[6,5-b]indole ChemAxon average_mass 262.351 ChemAxon mono_mass 262.023454332 ChemAxon smiles COC1=CC=CC2=C1C1=CN=C(SC)SC1=N2 ChemAxon formula C12H10N2OS2 ChemAxon inchi InChI=1S/C12H10N2OS2/c1-15-9-5-3-4-8-10(9)7-6-13-12(16-2)17-11(7)14-8/h3-6H,1-2H3 ChemAxon inchikey JDYSKRAQSOYTDY-UHFFFAOYSA-N ChemAxon polar_surface_area 35.01 ChemAxon refractivity 70.07 ChemAxon polarizability 27.35 ChemAxon rotatable_bond_count 2 ChemAxon acceptor_count 3 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 21442 Specdb::CMs 158203 Specdb::MsMs 313711 Specdb::MsMs 313712 Specdb::MsMs 313713 Specdb::MsMs 359257 Specdb::MsMs 359258 Specdb::MsMs 359259 Specdb::MsMs 2467574 Specdb::MsMs 2467575 Specdb::MsMs 2467576 Specdb::MsMs 2498900 Specdb::MsMs 2498901 Specdb::MsMs 2498902 HMDB41060 #<Reference:0x000055ce323ca2c0> Brassicas Unknown generic 3705 Root vegetables Unknown generic