3-methoxycarbonyl-9H-pyrido[3,4-b]indole-1-carboxylic acid
| Internal ID | 7bcf886d-1091-4fc3-99ee-e83ef5d5e172 |
| Taxonomy | Alkaloids and derivatives > Harmala alkaloids |
| IUPAC Name | 3-methoxycarbonyl-9H-pyrido[3,4-b]indole-1-carboxylic acid |
| SMILES (Canonical) | COC(=O)C1=NC(=C2C(=C1)C3=CC=CC=C3N2)C(=O)O |
| SMILES (Isomeric) | COC(=O)C1=NC(=C2C(=C1)C3=CC=CC=C3N2)C(=O)O |
| InChI | InChI=1S/C14H10N2O4/c1-20-14(19)10-6-8-7-4-2-3-5-9(7)15-11(8)12(16-10)13(17)18/h2-6,15H,1H3,(H,17,18) |
| InChI Key | DGSPLQMCXFIMIH-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C14H10N2O4 |
| Molecular Weight | 270.24 g/mol |
| Exact Mass | 270.06405680 g/mol |
| Topological Polar Surface Area (TPSA) | 92.30 Ų |
| XlogP | 2.40 |
| There are no found synonyms. |
![2D Structure of 3-methoxycarbonyl-9H-pyrido[3,4-b]indole-1-carboxylic acid](https://plantaedb.com/storage/docs/compounds/2023/11/3-methoxycarbonyl-9h-pyrido34-bindole-1-carboxylic-acid.jpg "2D Structure of 3-methoxycarbonyl-9H-pyrido[3,4-b]indole-1-carboxylic acid")
| 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 | 94.71% | 96.09% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 93.98% | 91.49% |
| CHEMBL2292 | Q13627 | Dual-specificity tyrosine-phosphorylation regulated kinase 1A | 91.86% | 93.24% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 91.57% | 85.14% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 90.74% | 91.11% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 89.97% | 99.23% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 88.94% | 94.45% |
| CHEMBL1781 | P11387 | DNA topoisomerase I | 87.01% | 97.00% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 86.99% | 86.33% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 86.52% | 99.17% |
| CHEMBL2535 | P11166 | Glucose transporter | 85.25% | 98.75% |
| CHEMBL2095172 | P14867 | GABA-A receptor; alpha-1/beta-2/gamma-2 | 85.02% | 92.67% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 84.03% | 95.56% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 83.33% | 94.73% |
| CHEMBL2716 | Q8WUI4 | Histone deacetylase 7 | 83.14% | 89.44% |
| CHEMBL1287628 | Q9Y5S8 | NADPH oxidase 1 | 82.33% | 95.48% |
| CHEMBL213 | P08588 | Beta-1 adrenergic receptor | 82.08% | 95.56% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 81.09% | 93.03% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 80.48% | 94.00% |
| CHEMBL5028 | O14672 | ADAM10 | 80.06% | 97.50% |
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.
| Stellaria dichotoma |
| PubChem | 21785441 |
| LOTUS | LTS0137173 |
| wikiData | Q104979242 |