Bauerine B
AlkaPlorer ID: AK003696
Synonym: 'Bauerine B', 'MLS005148198', 'SMR003965433'
IUPAC Name: 7,8-dichloro-9-methylpyrido[3,4-b]indole
Structure
SMILES: CN1C2=CN=CC=C2C2=CC=C(Cl)C(Cl)=C21
InChI: InChI=1S/C12H8Cl2N2/c1-16-10-6-15-5-4-7(10)8-2-3-9(13)11(14)12(8)16/h2-6H,1H3
InChIKey: XGTYSLIGRKUXED-UHFFFAOYSA-N
Reference
β-Carbolines from the Blue-Green Alga Dichothrix baueriana
PubChem CID: 189884
CAS: 156312-10-6
LOTUS: LTS0103587
COCONUT: CNP0353307
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Dichothrix baueriana | Dichothrix | Rivulariaceae | Nostocales | Cyanophyceae | Cyanobacteriota | None | Bacteria |
Properties Information
Molecule Weight: 251.116
TPSA？: 17.82
MolLogP？: 4.033300000000001
Number of H-Donors: 0
Number of H-Acceptors: 2
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Homo sapiens | LoVo | IC50 | 5.0 | ug.mL-1 | 10.1021/np50105a018 |
| Human alphaherpesvirus 2 | Human alphaherpesvirus 2 | IC90 | 3.0 | ug.mL-1 | 10.1021/np50105a018 |