1-(1,2-dihydroxyethyl)-9H-pyrido[3,4-b]indole-3-carboxylic acid
| Internal ID | 1f17132d-0e0e-4df2-9b58-0727e71639f0 |
| Taxonomy | Alkaloids and derivatives > Harmala alkaloids |
| IUPAC Name | 1-(1,2-dihydroxyethyl)-9H-pyrido[3,4-b]indole-3-carboxylic acid |
| SMILES (Canonical) | C1=CC=C2C(=C1)C3=CC(=NC(=C3N2)C(CO)O)C(=O)O |
| SMILES (Isomeric) | C1=CC=C2C(=C1)C3=CC(=NC(=C3N2)C(CO)O)C(=O)O |
| InChI | InChI=1S/C14H12N2O4/c17-6-11(18)13-12-8(5-10(16-13)14(19)20)7-3-1-2-4-9(7)15-12/h1-5,11,15,17-18H,6H2,(H,19,20) |
| InChI Key | PKSXEHHRROSXPR-UHFFFAOYSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C14H12N2O4 |
| Molecular Weight | 272.26 g/mol |
| Exact Mass | 272.07970687 g/mol |
| Topological Polar Surface Area (TPSA) | 106.00 Ų |
| XlogP | 0.70 |
| There are no found synonyms. |
![2D Structure of 1-(1,2-dihydroxyethyl)-9H-pyrido[3,4-b]indole-3-carboxylic acid](https://plantaedb.com/storage/docs/compounds/2023/11/1-12-dihydroxyethyl-9h-pyrido34-bindole-3-carboxylic-acid.jpg "2D Structure of 1-(1,2-dihydroxyethyl)-9H-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 |
|---|---|---|---|---|
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 94.37% | 96.09% |
| CHEMBL2035 | P08912 | Muscarinic acetylcholine receptor M5 | 93.81% | 94.62% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 92.74% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 91.62% | 98.95% |
| CHEMBL1781 | P11387 | DNA topoisomerase I | 89.39% | 97.00% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 88.74% | 95.56% |
| CHEMBL2716 | Q8WUI4 | Histone deacetylase 7 | 87.34% | 89.44% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 86.58% | 99.17% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 85.63% | 85.14% |
| CHEMBL213 | P08588 | Beta-1 adrenergic receptor | 85.41% | 95.56% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 85.33% | 94.45% |
| CHEMBL3902 | P09211 | Glutathione S-transferase Pi | 84.46% | 93.81% |
| CHEMBL1811 | P34995 | Prostanoid EP1 receptor | 81.57% | 95.71% |
| CHEMBL2288 | Q13526 | Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 | 80.19% | 91.71% |
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 | 21585568 |
| LOTUS | LTS0069929 |
| wikiData | Q105210631 |