Kumujian C
AlkaPlorer ID: AK009599
Synonym: None
IUPAC Name: 9H-pyrido[3,4-b]indole-1-carbaldehyde
Structure
SMILES: O=CC1=NC=CC2=C1NC1=CC=CC=C12
InChI: InChI=1S/C12H8N2O/c15-7-11-12-9(5-6-13-11)8-3-1-2-4-10(8)14-12/h1-7,14H
InChIKey: CHQBGSRZQLMDEX-UHFFFAOYSA-N
Reference
Anti-inflammatory Alkaloids from the Stems of Picrasma quassioides BENNET
PubChem CID: 5317375
CAS: 20127-63-3
LOTUS: LTS0234790
COCONUT: CNP0172388
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Picrasma quassioides | Picrasma | Simaroubaceae | Sapindales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 196.209
TPSA？: 45.75
MolLogP？: 2.528600000000001
Number of H-Donors: 1
Number of H-Acceptors: 2
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Homo sapiens | HT-1080 | LC50 | 67500.0 | nM | 10.1016/j.bmcl.2012.06.077 |
| Homo sapiens | MCF7 | Activity | nan | None | 10.1016/j.bmcl.2012.06.077 |
| Homo sapiens | p53-binding protein Mdm-2 | Inhibition | nan | % | 10.1016/j.bmcl.2012.06.077 |
| Homo sapiens | Protein-tyrosine phosphatase 1B | Inhibition | 9.8 | % | 10.1016/j.bmcl.2015.03.014 |
| Homo sapiens | RKO | LC50 | 11100.0 | nM | 10.1016/j.bmcl.2012.06.077 |
| Homo sapiens | U2OS | Activity | nan | None | 10.1016/j.bmcl.2012.06.077 |
| None | NON-PROTEIN TARGET | Activity | nan | None | 10.1016/j.bmcl.2012.06.077 |
| None | NON-PROTEIN TARGET | LC50 | 32400.0 | nM | 10.1016/j.bmcl.2012.06.077 |
| None | NON-PROTEIN TARGET | LC50 | 67500.0 | nM | 10.1016/j.bmcl.2012.06.077 |