9H-Pyrido[3,4-b]indole-1-carboxylic acid
| Internal ID | a10c4098-8a1d-4bfd-aed4-3a89650e8511 |
| Taxonomy | Alkaloids and derivatives > Harmala alkaloids |
| IUPAC Name | 9H-pyrido[3,4-b]indole-1-carboxylic acid |
| SMILES (Canonical) | C1=CC=C2C(=C1)C3=C(N2)C(=NC=C3)C(=O)O |
| SMILES (Isomeric) | C1=CC=C2C(=C1)C3=C(N2)C(=NC=C3)C(=O)O |
| InChI | InChI=1S/C12H8N2O2/c15-12(16)11-10-8(5-6-13-11)7-3-1-2-4-9(7)14-10/h1-6,14H,(H,15,16) |
| InChI Key | VNPNEGORDFERGK-UHFFFAOYSA-N |
| Popularity | 8 references in papers |
| Molecular Formula | C12H8N2O2 |
| Molecular Weight | 212.20 g/mol |
| Exact Mass | 212.058577502 g/mol |
| Topological Polar Surface Area (TPSA) | 66.00 Ų |
| XlogP | 2.20 |
| 26052-96-0 |
| ss-Carboline-1-carboxylic acid |
| beta-carboline-1-carboxylic acid |
| SCHEMBL933660 |
| ?-Carboline-1-carboxylic Acid |
| CHEMBL3401838 |
| Carboline 1-carboxylic acid, a- |
| VNPNEGORDFERGK-UHFFFAOYSA-N |
| BBA05296 |
| 1-carboxy-9H-pyrido[3,4-b]indole |
| There are more than 10 synonyms. If you wish to see them all click here. |
![2D Structure of 9H-Pyrido[3,4-b]indole-1-carboxylic acid](https://plantaedb.com/storage/docs/compounds/2023/11/9h-pyrido34-bindole-1-carboxylic-acid.jpg "2D Structure of 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 |
|---|---|---|---|---|
| CHEMBL2035 | P08912 | Muscarinic acetylcholine receptor M5 | 95.07% | 94.62% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 91.45% | 96.09% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 89.82% | 99.23% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 89.24% | 95.56% |
| CHEMBL1781 | P11387 | DNA topoisomerase I | 89.08% | 97.00% |
| CHEMBL2292 | Q13627 | Dual-specificity tyrosine-phosphorylation regulated kinase 1A | 88.77% | 93.24% |
| CHEMBL1868 | P17948 | Vascular endothelial growth factor receptor 1 | 88.50% | 96.47% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 88.25% | 91.49% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 87.73% | 91.11% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 86.93% | 89.00% |
| CHEMBL1821 | P08173 | Muscarinic acetylcholine receptor M4 | 86.38% | 94.08% |
| CHEMBL2095172 | P14867 | GABA-A receptor; alpha-1/beta-2/gamma-2 | 84.54% | 92.67% |
| CHEMBL2094127 | P06493 | Cyclin-dependent kinase 1/cyclin B | 81.80% | 96.00% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 80.00% | 85.14% |
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.
| Picrasma quassioides |
| PubChem | 15573079 |
| LOTUS | LTS0078069 |
| wikiData | Q105289835 |