N-Methoxyspirobrassinol methyl ether
PubChem CID: 10040237
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| Compound Synonyms | N-Methoxyspirobrassinol methyl ether, (-)-1-Methoxyspirobrassinol methyl ether, 1,2-dimethoxy-5'-(methylsulfanyl)-1,2-dihydro-3'H-spiro[indole-3,2'-[1,4]thiazole], 1,2-dimethoxy-5'-(methylsulfanyl)-1,2-dihydro-3'H-spiro(indole-3,2'-(1,4)thiazole), 1,2-Dimethoxy-5'-(methylsulphanyl)-1,2-dihydro-3'H-spiro(indole-3,2'-(1,4)thiazole), 1,2-Dimethoxy-5'-(methylsulphanyl)-1,2-dihydro-3'H-spiro[indole-3,2'-[1,4]thiazole], 1,2' thiazolidine], CHEBI:169036, 1-Methoxyspirobrassinol methyl ether, NSC736015, NSC-736015, 1,2-dimethoxy-2'-methylsulanylspiro[2H-indole-3,5'-4H-1,3-thiazole] |
|---|---|
| Topological Polar Surface Area | 84.7 |
| Hydrogen Bond Donor Count | 0.0 |
| Inchi Key | KJSKSCBVIGFOKZ-UHFFFAOYSA-N |
| Rotatable Bond Count | 3.0 |
| Substituent Name | Indole or derivatives, Aralkylamine, Benzenoid, Meta-thiazoline, Azacycle, N-organohydroxylamine, Organic 1,3-dipolar compound, Propargyl-type 1,3-dipolar organic compound, Sulfenyl compound, Thioether, Ether, Hydrocarbon derivative, Organosulfur compound, Organooxygen compound, Organonitrogen compound, Aromatic heteropolycyclic compound |
| Synonyms | (-)-1-Methoxyspirobrassinol methyl ether, 1-Methoxyspirobrassinol methyl ether, N-Methoxyspirobrassinol methyl ether |
| Heavy Atom Count | 19.0 |
| Compound Name | N-Methoxyspirobrassinol methyl ether |
| Kingdom | Organic compounds |
| Description | Stress metabolite from Japanese daikon radish inoculated with Pseudomonas cichorii. N-Methoxyspirobrassinol methyl ether is found in brassicas and radish. |
| Exact Mass | 296.065 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 296.065 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 380.0 |
| Hydrogen Bond Acceptor Count | 6.0 |
| Molecular Weight | 296.4 |
| Database Name | fooddb_chem_all;pubchem |
| Covalent Unit Count | 1.0 |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 1,2-dimethoxy-2'-methylsulfanylspiro[2H-indole-3,5'-4H-1,3-thiazole] |
| Total Atom Stereocenter Count | 2.0 |
| Total Bond Stereocenter Count | 0.0 |
| Class | Indoles and derivatives |
| Inchi | InChI=1S/C13H16N2O2S2/c1-16-11-13(8-14-12(18-3)19-13)9-6-4-5-7-10(9)15(11)17-2/h4-7,11H,8H2,1-3H3 |
| Smiles | COC1C2(CN=C(S2)SC)C3=CC=CC=C3N1OC |
| Xlogp | 2.6 |
| Superclass | Organoheterocyclic compounds |
| Defined Bond Stereocenter Count | 0.0 |
| Molecular Formula | C13H16N2O2S2 |
- 1. Outgoing r'ship
FOUND_INto/from Raphanus Sativus (Plant) Rel Props:Source_db:fooddb_chem_all