Sinalbin A
PubChem CID: 10660412
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| Compound Synonyms | Sinalbin A, CHEBI:173993, 9-methoxy-2-methylsulfinyl-4H-[1,3]thiazino[6,5-b]indole, 9-methoxy-2-methylsulinyl-4H-[1,3]thiazino[6,5-b]indole, 2-methanesulfinyl-9-methoxy-4H,9H-[1,3]thiazino[6,5-b]indole |
|---|---|
| Topological Polar Surface Area | 88.1 |
| Hydrogen Bond Donor Count | 0.0 |
| Inchi Key | IVCVQRJWYKCARE-UHFFFAOYSA-N |
| Rotatable Bond Count | 2.0 |
| Synonyms | Sinalbin A |
| Heavy Atom Count | 18.0 |
| Compound Name | Sinalbin A |
| Description | Isolated from Sinapis alba (white mustard). Sinalbin A is found in brassicas, herbs and spices, and white mustard. |
| Exact Mass | 280.034 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 280.034 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 388.0 |
| 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 | 9-methoxy-2-methylsulfinyl-4H-[1,3]thiazino[6,5-b]indole |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Inchi | InChI=1S/C12H12N2O2S2/c1-16-14-10-6-4-3-5-8(10)9-7-13-12(18(2)15)17-11(9)14/h3-6H,7H2,1-2H3 |
| Smiles | CON1C2=CC=CC=C2C3=C1SC(=NC3)S(=O)C |
| Xlogp | 2.2 |
| Defined Bond Stereocenter Count | 0.0 |
| Molecular Formula | C12H12N2O2S2 |
- 1. Outgoing r'ship
FOUND_INto/from Sinapis Alba (Plant) Rel Props:Source_db:fooddb_chem_all