1.0 2010-04-08 22:15:25 UTC 2025-11-19 02:35:04 UTC FDB021016 N-Methoxyspirobrassinol Stress metabolite from the Japanese radish Daikon (Raphanus sativus variety hortensis) (Cruciferae) inoculated with Pseudomonas cichorii. N-Methoxyspirobrassinol is found in brassicas. N-Methoxyspirobrassinol C12H14N2O2S2 282.382 282.049669082 1-methoxy-5'-(methylsulfanyl)-1,2-dihydro-3'H-spiro[indole-3,2'-[1,4]thiazole]-2-ol 1-methoxy-5'-(methylsulfanyl)-2H,3'H-spiro[indole-3,2'-[1,4]thiazole]-2-ol CON1C(O)C2(CN=C(SC)S2)C2=CC=CC=C12 InChI=1S/C12H14N2O2S2/c1-16-14-9-6-4-3-5-8(9)12(10(14)15)7-13-11(17-2)18-12/h3-6,10,15H,7H2,1-2H3 YMIMEAOCSJOCSI-UHFFFAOYSA-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 1-hydroxylamino, 2-unsubstituted benzenoids 1-hydroxylamino, 4-unsubstituted benzenoids Alkanolamines Azacyclic compounds Hydrocarbon derivatives N-organohydroxylamines Organooxygen compounds Organopnictogen compounds Propargyl-type 1,3-dipolar organic compounds Sulfenyl compounds Thiazolines 1-hydroxylamino, 2-unsubstituted benzenoid 1-hydroxylamino, 4-unsubstituted benzenoid Alkanolamine Aromatic heteropolycyclic compound Azacycle Benzenoid Hydrocarbon derivative Indole or derivatives Meta-thiazoline N-organohydroxylamine Organic 1,3-dipolar compound Organic nitrogen compound Organic oxygen compound Organonitrogen compound Organooxygen compound Organopnictogen compound Organosulfur compound Propargyl-type 1,3-dipolar organic compound Sulfenyl compound logp 2.03 ALOGPS logs -2.70 ALOGPS solubility 5.67e-01 g/l ALOGPS logp 3.09 ChemAxon pka_strongest_acidic 11.9 ChemAxon pka_strongest_basic 3.4 ChemAxon iupac 1-methoxy-5'-(methylsulfanyl)-1,2-dihydro-3'H-spiro[indole-3,2'-[1,4]thiazole]-2-ol ChemAxon average_mass 282.382 ChemAxon mono_mass 282.049669082 ChemAxon smiles CON1C(O)C2(CN=C(SC)S2)C2=CC=CC=C12 ChemAxon formula C12H14N2O2S2 ChemAxon inchi InChI=1S/C12H14N2O2S2/c1-16-14-9-6-4-3-5-8(9)12(10(14)15)7-13-11(17-2)18-12/h3-6,10,15H,7H2,1-2H3 ChemAxon inchikey YMIMEAOCSJOCSI-UHFFFAOYSA-N ChemAxon polar_surface_area 45.06 ChemAxon refractivity 85.27 ChemAxon polarizability 28.93 ChemAxon rotatable_bond_count 2 ChemAxon acceptor_count 4 ChemAxon donor_count 1 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 16758 Specdb::CMs 47137 Specdb::CMs 150461 Specdb::MsMs 303022 Specdb::MsMs 303023 Specdb::MsMs 303024 Specdb::MsMs 345880 Specdb::MsMs 345881 Specdb::MsMs 345882 Specdb::MsMs 2814074 Specdb::MsMs 2814075 Specdb::MsMs 2814076 Specdb::MsMs 2892084 Specdb::MsMs 2892085 Specdb::MsMs 2892086 HMDB41133 #<Reference:0x00007f093c053dd0> Brassicas Unknown generic 3705