methyl 9H-pyrido[3,4-b]indole-1-carboxylate
AlkaPlorer ID: AK001856
Synonym: None
IUPAC Name: methyl 9H-pyrido[3,4-b]indole-1-carboxylate
Structure
SMILES: COC(=O)C1=NC=CC2=C1NC1=CC=CC=C12
InChI: InChI=1S/C13H10N2O2/c1-17-13(16)12-11-9(6-7-14-12)8-4-2-3-5-10(8)15-11/h2-7,15H,1H3
InChIKey: FRNCTTUBAHKEBZ-UHFFFAOYSA-N
Reference
β-Carboline alkaloids ofPolygala tenuifolia
PubChem CID: 597266
CAS: 3464-66-2
LOTUS: LTS0143229
COCONUT: CNP0358032
data_source: manually
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Alstonia constricta | Alstonia | Apocynaceae | Gentianales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 226.235
TPSA？: 54.98
MolLogP？: 2.502700000000001
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 | HEK293 | Activity | nan | None | 10.1021/acs.jnatprod.7b00958 |
| Homo sapiens | HEK293 | Activity | nan | None | 10.1021/np400701k |
| Homo sapiens | Protein-tyrosine phosphatase 1B | Inhibition | 2.9 | % | 10.1016/j.bmcl.2015.03.014 |
| Meriones unguiculatus | Meriones unguiculatus | Activity | 30.1 | % | 10.1016/j.bmcl.2016.09.006 |
| Meriones unguiculatus | Meriones unguiculatus | Activity | 40.0 | % | 10.1016/j.bmcl.2016.09.006 |
| Mus musculus | Quinone oxidoreductase | CD | 30.2 | uM | 10.1021/acs.jnatprod.7b00958 |
| Tobacco mosaic virus | Tobacco mosaic virus | EC50 | 115000.0 | nM | 10.1021/jf901632j |
| Tobacco mosaic virus | Tobacco mosaic virus | EC50 | 179000.0 | nM | 10.1021/jf901632j |
| Tobacco mosaic virus | Tobacco mosaic virus | Inhibition | 47.4 | % | 10.1021/jf901632j |
| Tobacco mosaic virus | Tobacco mosaic virus | Inhibition | 60.4 | % | 10.1021/jf901632j |
| Tobacco mosaic virus | Tobacco mosaic virus | Inhibition | 68.4 | % | 10.1021/jf901632j |
| Tobacco mosaic virus | Tobacco mosaic virus | Inhibition | 71.4 | % | 10.1021/jf901632j |
| Tobacco mosaic virus | Tobacco mosaic virus | Inhibition | 71.9 | % | 10.1021/jf901632j |
| Tobacco mosaic virus | Tobacco mosaic virus | Inhibition | 73.3 | % | 10.1021/jf901632j |
| Tobacco mosaic virus | Tobacco mosaic virus | Inhibition | nan | % | 10.1021/jf901632j |
| None | Unchecked | IC50 | 29300.0 | nM | 10.1021/np400701k |
| None | Unchecked | IC50 | 50000.0 | nM | 10.1021/acs.jnatprod.7b00958 |
| None | Unchecked | Inhibition | 50.0 | % | 10.1021/np400701k |