1-Methoxyspirobrassinin
PubChem CID: 11425998
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| Compound Synonyms | 1-Methoxyspirobrassinin, 156499-63-7, 1'-methoxy-2-methylsulfanylspiro[4H-1,3-thiazole-5,3'-indole]-2'-one, (+)-1-Methoxyspirobrassinin, CHEBI:173992, NSC731177, NSC-731177, 1'-methoxy-2-methylsulanylspiro[4H-1,3-thiazole-5,3'-indole]-2'-one, 1-methoxy-5'-(methylsulfanyl)-1,2-dihydro-3'H-spiro[indole-3,2'-[1,4]thiazole]-2-one |
|---|---|
| Topological Polar Surface Area | 92.5 |
| Hydrogen Bond Donor Count | 0.0 |
| Inchi Key | HXTLALYTXJCGLD-UHFFFAOYSA-N |
| Rotatable Bond Count | 2.0 |
| Synonyms | (+)-1-Methoxyspirobrassinin, 1-Methoxyspirobrassinin |
| Heavy Atom Count | 18.0 |
| Compound Name | 1-Methoxyspirobrassinin |
| Description | Phytoalexin from Brassica oleracea variety gongylodes (kohlrabi). 1-Methoxyspirobrassinin is found in cauliflower, brassicas, and radish. |
| Exact Mass | 280.034 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 280.034 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 402.0 |
| Hydrogen Bond Acceptor Count | 5.0 |
| Molecular Weight | 280.4 |
| Database Name | fooddb_chem_all;pubchem |
| Covalent Unit Count | 1.0 |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 1'-methoxy-2-methylsulfanylspiro[4H-1,3-thiazole-5,3'-indole]-2'-one |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Inchi | InChI=1S/C12H12N2O2S2/c1-16-14-9-6-4-3-5-8(9)12(10(14)15)7-13-11(17-2)18-12/h3-6H,7H2,1-2H3 |
| Smiles | CON1C2=CC=CC=C2C3(C1=O)CN=C(S3)SC |
| Xlogp | 2.0 |
| Defined Bond Stereocenter Count | 0.0 |
| Molecular Formula | C12H12N2O2S2 |
- 1. Outgoing r'ship
FOUND_INto/from Brassica Oleracea (Plant) Rel Props:Source_db:fooddb_chem_all - 2. Outgoing r'ship
FOUND_INto/from Raphanus Sativus (Plant) Rel Props:Source_db:fooddb_chem_all