β-Carboline-1-carboxylic acid; Amide
AlkaPlorer ID: AK006187
Synonym: 1-Carbamoyl-β-carboline, β-Carboline-1-carboxamide, Harman carboxamide
IUPAC Name: 9H-pyrido[3,4-b]indole-1-carboxamide
Structure
SMILES: NC(=O)C1=NC=CC2=C1NC1=CC=CC=C12
InChI: InChI=1S/C12H9N3O/c13-12(16)11-10-8(5-6-14-11)7-3-1-2-4-9(7)15-10/h1-6,15H,(H2,13,16)
InChIKey: JUXJIYPXDYCRKZ-UHFFFAOYSA-N
Reference
Alkaloids from roots of Strychnos potatorum
PubChem CID: 611121
CAS: 38940-60-2
LOTUS: LTS0062442
COCONUT: CNP0287687
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Strychnos potatorum | Strychnos | Loganiaceae | Gentianales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
| Nauclea diderrichii | Nauclea | Rubiaceae | Gentianales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
| None | Ailanthus | Simaroubaceae | Sapindales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 211.224
TPSA？: 71.77000000000001
MolLogP？: 1.8149999999999995
Number of H-Donors: 2
Number of H-Acceptors: 2
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Homo sapiens | Protein-tyrosine phosphatase 1B | Inhibition | 20.3 | % | 10.1016/j.bmcl.2015.03.014 |