methyl 9H-pyrido[3,4-b]indole-1-carboxylate
| Internal ID | 3fcc6740-5663-4c5e-b0fc-8a8bf2b3c41f |
| Taxonomy | Alkaloids and derivatives > Harmala alkaloids |
| IUPAC Name | methyl 9H-pyrido[3,4-b]indole-1-carboxylate |
| SMILES (Canonical) | COC(=O)C1=NC=CC2=C1NC3=CC=CC=C23 |
| SMILES (Isomeric) | COC(=O)C1=NC=CC2=C1NC3=CC=CC=C23 |
| 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 |
| InChI Key | FRNCTTUBAHKEBZ-UHFFFAOYSA-N |
| Popularity | 39 references in papers |
| Molecular Formula | C13H10N2O2 |
| Molecular Weight | 226.23 g/mol |
| Exact Mass | 226.074227566 g/mol |
| Topological Polar Surface Area (TPSA) | 55.00 Ų |
| XlogP | 2.50 |
| methyl 9H-pyrido[3,4-b]indole-1-carboxylate |
| 1-Methoxycarbonyl-beta-carboline |
| 9H-Pyrido(3,4-b)indole-1-carboxylic acid, methyl ester |
| 9H-Pyrido[3,4-b]indole-1-carboxylic acid, methyl ester |
| 1-Methoxycarbonyl-|A-carboline |
| Methyl 9H-pyrido(3,4-b)indole-1-carboxylate |
| Kumujan B |
| Methyl beta-carboline-1-carboxylate |
| TOB-5 |
| 1-Carbomethoxy-beta-carboline |
| There are more than 10 synonyms. If you wish to see them all click here. |
![2D Structure of methyl 9H-pyrido[3,4-b]indole-1-carboxylate](https://plantaedb.com/storage/docs/compounds/2023/07/methyl-9h-pyrido34-bindole-1-carboxylate.jpg "2D Structure of methyl 9H-pyrido[3,4-b]indole-1-carboxylate")
| Target | Value | Probability (raw) | Probability (%) |
|---|---|---|---|
| No predicted properties yet! | |||
Proven Targets:
| CHEMBL ID | UniProt ID | Name | Min activity | Assay type | Source |
|---|---|---|---|---|---|
| No proven targets yet! | |||||
Predicted Targets (via Super-PRED):
| CHEMBL ID | UniProt ID | Name | Probability | Model accuracy |
|---|---|---|---|---|
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 96.38% | 96.09% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 95.08% | 91.49% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 92.72% | 91.11% |
| CHEMBL2095172 | P14867 | GABA-A receptor; alpha-1/beta-2/gamma-2 | 92.57% | 92.67% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 90.58% | 85.14% |
| CHEMBL1868 | P17948 | Vascular endothelial growth factor receptor 1 | 88.70% | 96.47% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 88.69% | 99.23% |
| CHEMBL255 | P29275 | Adenosine A2b receptor | 88.28% | 98.59% |
| CHEMBL2292 | Q13627 | Dual-specificity tyrosine-phosphorylation regulated kinase 1A | 87.30% | 93.24% |
| CHEMBL2581 | P07339 | Cathepsin D | 86.46% | 98.95% |
| CHEMBL2535 | P11166 | Glucose transporter | 85.89% | 98.75% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 85.71% | 94.00% |
| CHEMBL1781 | P11387 | DNA topoisomerase I | 85.37% | 97.00% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 84.23% | 94.45% |
| CHEMBL2094127 | P06493 | Cyclin-dependent kinase 1/cyclin B | 83.74% | 96.00% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 82.42% | 99.17% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 81.50% | 94.73% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 81.23% | 95.56% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 81.07% | 89.00% |
Below are displayed all the plants proven (via scientific papers) to contain this
compound!
To see more specific details click the taxa you are interested in.
To see more specific details click the taxa you are interested in.
| PubChem | 597266 |
| NPASS | NPC266249 |
| ChEMBL | CHEMBL2229719 |
| LOTUS | LTS0143229 |
| wikiData | Q72489445 |