1-Methylindole-3-carboxylic acid
| Internal ID | da03a595-e0cc-4124-b2fe-762e4ba4cf46 |
| Taxonomy | Organoheterocyclic compounds > Indoles and derivatives > Indolecarboxylic acids and derivatives |
| IUPAC Name | 1-methylindole-3-carboxylic acid |
| SMILES (Canonical) | CN1C=C(C2=CC=CC=C21)C(=O)O |
| SMILES (Isomeric) | CN1C=C(C2=CC=CC=C21)C(=O)O |
| InChI | InChI=1S/C10H9NO2/c1-11-6-8(10(12)13)7-4-2-3-5-9(7)11/h2-6H,1H3,(H,12,13) |
| InChI Key | HVRCLXXJIQTXHC-UHFFFAOYSA-N |
| Popularity | 15 references in papers |
| Molecular Formula | C10H9NO2 |
| Molecular Weight | 175.18 g/mol |
| Exact Mass | 175.063328530 g/mol |
| Topological Polar Surface Area (TPSA) | 42.20 Ų |
| XlogP | 1.80 |
| 1-Methylindole-3-carboxylic acid |
| 1-Methyl-1H-Indole-3-Carboxylic Acid |
| 1-Methyl-3-indolecarboxylic acid |
| N-methylindole-3-carboxylic acid |
| MFCD01321244 |
| 1H-Indole-3-carboxylic acid, 1-methyl- |
| 1-Methylindole-3-carboxylicacid |
| Bionet2_001079 |
| SCHEMBL535878 |
| CHEMBL1650259 |
| There are more than 10 synonyms. If you wish to see them all click here. |
| 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 |
|---|---|---|---|---|
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 97.85% | 95.56% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 94.49% | 96.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 93.87% | 98.95% |
| CHEMBL1899 | P46098 | Serotonin 3a (5-HT3a) receptor | 92.94% | 100.00% |
| CHEMBL1293294 | P51151 | Ras-related protein Rab-9A | 87.96% | 87.67% |
| CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 87.62% | 93.00% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 85.35% | 99.23% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 85.15% | 85.14% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 80.33% | 86.33% |
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.
| Eutrema japonicum |
| PubChem | 854040 |
| LOTUS | LTS0143203 |
| wikiData | Q50318274 |