5-bromo-8-methoxy-1-methyl-beta-carboline
AlkaPlorer ID: AK096018
Synonym: '5-bromo-8-methoxy-1-methyl-beta-carboline'
IUPAC Name: 5-bromo-8-methoxy-1-methyl-9H-pyrido[3,4-b]indole
Structure
SMILES: COC1=CC=C(Br)C2=C1NC1=C(C)N=CC=C12
InChI: InChI=1S/C13H11BrN2O/c1-7-12-8(5-6-15-7)11-9(14)3-4-10(17-2)13(11)16-12/h3-6,16H,1-2H3
InChIKey: OVNRKQHNHZRXHF-UHFFFAOYSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Pterocella vesiculosa | Pterocella | Catenicellidae | Cheilostomatida | Gymnolaemata | Bryozoa | Metazoa | Eukaryota |
Properties Information
Molecule Weight: 291.148
TPSA？: 37.91
MolLogP？: 3.795620000000002
Number of H-Donors: 1
Number of H-Acceptors: 2
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Bacillus subtilis | Bacillus subtilis | MID | 2.0 | ug ml-1 | 10.1021/np8007655 |
| Candida albicans | Candida albicans | MID | 7.5 | ug ml-1 | 10.1021/np8007655 |
| Mus musculus | P388 | IC50 | 5.089 | ug.mL-1 | 10.1021/np8007655 |
| Trichophyton mentagrophytes | Trichophyton mentagrophytes | MID | 7.5 | ug ml-1 | 10.1021/np8007655 |