1-ethenyl-4,8-dimethoxy-9H-pyrido[3,4-b]indole
AlkaPlorer ID: AK016970
Synonym: None
IUPAC Name: 1-ethenyl-4,8-dimethoxy-9H-pyrido[3,4-b]indole
Structure
SMILES: C=CC1=C2NC3=C(C=CC=C3OC)C2=C(OC)C=N1
InChI: InChI=1S/C15H14N2O2/c1-4-10-15-13(12(19-3)8-16-10)9-6-5-7-11(18-2)14(9)17-15/h4-8,17H,1H2,2-3H3
InChIKey: LDWBTKDUAXOZRB-UHFFFAOYSA-N
Reference
Anti-inflammatory Alkaloids from the Stems of Picrasma quassioides BENNET
PubChem CID: 5318875
CAS: 65236-62-6
LOTUS: LTS0078065
COCONUT: CNP0323763
data_source: manually
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Picrasma quassioides | Picrasma | Simaroubaceae | Sapindales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 254.289
TPSA？: 47.14
MolLogP？: 3.3763000000000014
Number of H-Donors: 1
Number of H-Acceptors: 3
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Homo sapiens | A2780 | IC50 | 2.02 | ug.mL-1 | 10.1016/j.ejmech.2021.113688 |
| Homo sapiens | Protein-tyrosine phosphatase 1B | Inhibition | 40.3 | % | 10.1016/j.bmcl.2015.03.014 |
| Homo sapiens | SK-OV-3 | IC50 | 11.89 | ug.mL-1 | 10.1016/j.ejmech.2021.113688 |