7-hydroxy-1-methyl-4,9-dihydro-3H-pyrido[3,4-b]indole-3-carboxylic acid
| Internal ID | c30474ee-14b2-4ebf-b78d-4d199bfe2cb3 |
| Taxonomy | Alkaloids and derivatives > Harmala alkaloids |
| IUPAC Name | 7-hydroxy-1-methyl-4,9-dihydro-3H-pyrido[3,4-b]indole-3-carboxylic acid |
| SMILES (Canonical) | CC1=NC(CC2=C1NC3=C2C=CC(=C3)O)C(=O)O |
| SMILES (Isomeric) | CC1=NC(CC2=C1NC3=C2C=CC(=C3)O)C(=O)O |
| InChI | InChI=1S/C13H12N2O3/c1-6-12-9(5-11(14-6)13(17)18)8-3-2-7(16)4-10(8)15-12/h2-4,11,15-16H,5H2,1H3,(H,17,18) |
| InChI Key | KSNGZQWONODVBX-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C13H12N2O3 |
| Molecular Weight | 244.25 g/mol |
| Exact Mass | 244.08479225 g/mol |
| Topological Polar Surface Area (TPSA) | 85.70 Ų |
| XlogP | 1.50 |
| There are no found synonyms. |
![2D Structure of 7-hydroxy-1-methyl-4,9-dihydro-3H-pyrido[3,4-b]indole-3-carboxylic acid](https://plantaedb.com/storage/docs/compounds/2023/11/7-hydroxy-1-methyl-49-dihydro-3h-pyrido34-bindole-3-carboxylic-acid.jpg "2D Structure of 7-hydroxy-1-methyl-4,9-dihydro-3H-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 |
|---|---|---|---|---|
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 97.26% | 94.45% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 94.76% | 95.56% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 93.86% | 96.09% |
| CHEMBL2288 | Q13526 | Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 | 93.67% | 91.71% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 93.49% | 91.11% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 93.20% | 91.49% |
| CHEMBL2581 | P07339 | Cathepsin D | 92.58% | 98.95% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 90.59% | 99.23% |
| CHEMBL2535 | P11166 | Glucose transporter | 90.34% | 98.75% |
| CHEMBL2041 | P07949 | Tyrosine-protein kinase receptor RET | 87.66% | 91.79% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 86.51% | 89.00% |
| CHEMBL2035 | P08912 | Muscarinic acetylcholine receptor M5 | 86.33% | 94.62% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 81.22% | 97.09% |
| CHEMBL1781 | P11387 | DNA topoisomerase I | 80.77% | 97.00% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 80.65% | 90.00% |
| CHEMBL2292 | Q13627 | Dual-specificity tyrosine-phosphorylation regulated kinase 1A | 80.53% | 93.24% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 80.49% | 99.17% |
Below are displayed all the plants proven (via scientific papers) to contain this
compound!
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| There are no matching plants. |
| PubChem | 162928389 |
| LOTUS | LTS0212508 |
| wikiData | Q104170572 |