1-(9H-pyrido[3,4-b]indol-1-yl)ethanol
| Internal ID | da5cd0b3-4a2a-426e-bfbf-6370b0a175b7 |
| Taxonomy | Alkaloids and derivatives > Harmala alkaloids |
| IUPAC Name | 1-(9H-pyrido[3,4-b]indol-1-yl)ethanol |
| SMILES (Canonical) | CC(C1=NC=CC2=C1NC3=CC=CC=C23)O |
| SMILES (Isomeric) | CC(C1=NC=CC2=C1NC3=CC=CC=C23)O |
| InChI | InChI=1S/C13H12N2O/c1-8(16)12-13-10(6-7-14-12)9-4-2-3-5-11(9)15-13/h2-8,15-16H,1H3 |
| InChI Key | GKXWQOGSNJJLKJ-UHFFFAOYSA-N |
| Popularity | 3 references in papers |
| Molecular Formula | C13H12N2O |
| Molecular Weight | 212.25 g/mol |
| Exact Mass | 212.094963011 g/mol |
| Topological Polar Surface Area (TPSA) | 48.90 Ų |
| XlogP | 1.90 |
| SCHEMBL10631483 |
![2D Structure of 1-(9H-pyrido[3,4-b]indol-1-yl)ethanol](https://plantaedb.com/storage/docs/compounds/2023/11/1-9h-pyrido34-bindol-1-ylethanol.jpg "2D Structure of 1-(9H-pyrido[3,4-b]indol-1-yl)ethanol")
| 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 |
|---|---|---|---|---|
| CHEMBL1951 | P21397 | Monoamine oxidase A | 95.23% | 91.49% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 95.22% | 96.09% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 94.04% | 85.14% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 92.98% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 91.86% | 98.95% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 87.61% | 89.00% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 86.30% | 95.56% |
| CHEMBL2035 | P08912 | Muscarinic acetylcholine receptor M5 | 86.05% | 94.62% |
| CHEMBL3310 | Q96DB2 | Histone deacetylase 11 | 85.91% | 88.56% |
| CHEMBL213 | P08588 | Beta-1 adrenergic receptor | 85.54% | 95.56% |
| CHEMBL255 | P29275 | Adenosine A2b receptor | 82.80% | 98.59% |
| CHEMBL2424504 | P29375 | Lysine-specific demethylase 5A | 81.97% | 99.23% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 80.96% | 94.45% |
| CHEMBL2107 | P61073 | C-X-C chemokine receptor type 4 | 80.95% | 93.10% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 80.81% | 94.75% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 80.73% | 90.00% |
| CHEMBL3524 | P56524 | Histone deacetylase 4 | 80.48% | 92.97% |
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 | 10899924 |
| LOTUS | LTS0142011 |
| wikiData | Q105010469 |