Brassilexin
PubChem CID: 135413564
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| Compound Synonyms | Brassilexin, 119752-76-0, 8H-isothiazolo[5,4-b]indole, Brassilexine, 2h-[1,2]thiazolo[5,4-b]indole, 200192-82-1, 4H-[1,2]thiazolo[5,4-b]indole, 8H-Isothiazolo(5,4-b)indole, 4H-(1,2)thiazolo(5,4-b)indole, isothiazolo[5,4-b]indole, 4H-isothiazolo[5,4-b]indole, SCHEMBL10042213, DTXSID90923097, CHEBI:169691, GLXC-04194, AIA19282, AKOS040746644, DB-228076, HY-116128 |
|---|---|
| Topological Polar Surface Area | 56.9 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 12.0 |
| Description | Isolated from leaves of brown mustard (Brassica juncea) (Cruciferae). Brassilexin is found in many foods, some of which are cauliflower, chinese mustard, herbs and spices, and chinese cabbage. |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 185.0 |
| Database Name | fooddb_chem_all;hmdb_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 4H-[1,2]thiazolo[5,4-b]indole |
| Nih Violation | False |
| Class | Indoles and derivatives |
| Xlogp | 2.8 |
| Superclass | Organoheterocyclic compounds |
| Is Pains | False |
| Subclass | Indoles |
| Molecular Formula | C9H6N2S |
| Inchi Key | NHMBEDDKDVIBQD-UHFFFAOYSA-N |
| Rotatable Bond Count | 0.0 |
| State | Solid |
| Synonyms | 8H-Isothiazolo(5,4-b)indole, Brassilexin, Brassilexine, 8H-isothiazolo(5,4-b)Indole |
| Compound Name | Brassilexin |
| Kingdom | Organic compounds |
| Exact Mass | 174.025 |
| Formal Charge | 0.0 |
| Brenk Violation | False |
| Monoisotopic Mass | 174.025 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 174.22 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Inchi | InChI=1S/C9H6N2S/c1-2-4-8-6(3-1)7-5-10-12-9(7)11-8/h1-5,11H |
| Smiles | C1=CC=C2C(=C1)C3=C(N2)SN=C3 |
| Defined Bond Stereocenter Count | 0.0 |
| Taxonomy Direct Parent | Indoles |
- 1. Outgoing r'ship
FOUND_INto/from Brassica Juncea (Plant) Rel Props:Source_db:fooddb_chem_all - 2. Outgoing r'ship
FOUND_INto/from Brassica Oleracea (Plant) Rel Props:Source_db:fooddb_chem_all - 3. Outgoing r'ship
FOUND_INto/from Brassica Rapa (Plant) Rel Props:Source_db:fooddb_chem_all