Bauerine A
AlkaPlorer ID: AK040566
Synonym: '', 'Bauerine A'
IUPAC Name: 7-chloro-9-methylpyrido[3,4-b]indole
Structure
SMILES: CN1C2=CN=CC=C2C2=CC=C(Cl)C=C21
InChI: InChI=1S/C12H9ClN2/c1-15-11-6-8(13)2-3-9(11)10-4-5-14-7-12(10)15/h2-7H,1H3
InChIKey: CRAMILMCKLDURA-UHFFFAOYSA-N
Reference
β-Carbolines from the Blue-Green Alga Dichothrix baueriana
PubChem CID: 189885
CAS: 156312-09-3
LOTUS: LTS0201862
COCONUT: CNP0353306
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Dichothrix baueriana | Dichothrix | Rivulariaceae | Nostocales | Cyanophyceae | Cyanobacteriota | None | Bacteria |
Properties Information
Molecule Weight: 216.671
TPSA？: 17.82
MolLogP？: 3.379900000000002
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 | 3.0 | ug.mL-1 | 10.1021/np50105a018 |
| Human alphaherpesvirus 2 | Human alphaherpesvirus 2 | IC90 | 2.0 | ug.mL-1 | 10.1021/np50105a018 |