7-hydroxy-1-methyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylic acid
| Internal ID | f585ffa2-5652-4337-b919-c47f3db38aa4 |
| Taxonomy | Alkaloids and derivatives > Harmala alkaloids |
| IUPAC Name | 7-hydroxy-1-methyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylic acid |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C13H14N2O3/c1-6-12-9(5-11(14-6)13(17)18)8-3-2-7(16)4-10(8)15-12/h2-4,6,11,14-16H,5H2,1H3,(H,17,18) |
| InChI Key | ZROUMPAYNHAKNV-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C13H14N2O3 |
| Molecular Weight | 246.26 g/mol |
| Exact Mass | 246.10044231 g/mol |
| Topological Polar Surface Area (TPSA) | 85.40 Ų |
| XlogP | -1.10 |
| There are no found synonyms. |
![2D Structure of 7-hydroxy-1-methyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylic acid](https://plantaedb.com/storage/docs/compounds/2023/11/7-hydroxy-1-methyl-2349-tetrahydro-1h-pyrido34-bindole-3-carboxylic-acid.jpg "2D Structure of 7-hydroxy-1-methyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-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 |
|---|---|---|---|---|
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 98.98% | 83.82% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 95.67% | 94.45% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 95.04% | 96.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 93.94% | 98.95% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 92.54% | 91.11% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 90.42% | 95.56% |
| CHEMBL2535 | P11166 | Glucose transporter | 89.10% | 98.75% |
| CHEMBL2288 | Q13526 | Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 | 87.79% | 91.71% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 87.70% | 91.49% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 86.95% | 89.00% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 84.46% | 99.17% |
| CHEMBL213 | P08588 | Beta-1 adrenergic receptor | 82.82% | 95.56% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 81.44% | 90.71% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 81.16% | 99.23% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 80.64% | 97.09% |
| CHEMBL2041 | P07949 | Tyrosine-protein kinase receptor RET | 80.55% | 91.79% |
| CHEMBL217 | P14416 | Dopamine D2 receptor | 80.15% | 95.62% |
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.
| There are no matching plants. |
| PubChem | 74075915 |
| LOTUS | LTS0082678 |
| wikiData | Q104202725 |