I(2),4-Dimethoxy-9H-pyrido[3,4-b]indole-1-ethanol
| Internal ID | 2df499de-b037-4647-8349-3a5ee8b1ca4a |
| Taxonomy | Alkaloids and derivatives > Harmala alkaloids |
| IUPAC Name | 2-methoxy-2-(4-methoxy-9H-pyrido[3,4-b]indol-1-yl)ethanol |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C15H16N2O3/c1-19-11-7-16-14(12(8-18)20-2)15-13(11)9-5-3-4-6-10(9)17-15/h3-7,12,17-18H,8H2,1-2H3 |
| InChI Key | WNFXAFASAXKDQA-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C15H16N2O3 |
| Molecular Weight | 272.30 g/mol |
| Exact Mass | 272.11609238 g/mol |
| Topological Polar Surface Area (TPSA) | 67.40 Ų |
| XlogP | 1.30 |
| beta,4-Dimethoxy-9H-pyrido[3,4-b]indole-1-ethanol |
| 89915-40-2 |
![2D Structure of I(2),4-Dimethoxy-9H-pyrido[3,4-b]indole-1-ethanol](https://plantaedb.com/storage/docs/compounds/2023/11/beta4-dimethoxy-9h-pyrido34-bindole-1-ethanol.jpg "2D Structure of I(2),4-Dimethoxy-9H-pyrido[3,4-b]indole-1-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 |
|---|---|---|---|---|
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 98.10% | 96.09% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 93.04% | 94.00% |
| CHEMBL2716 | Q8WUI4 | Histone deacetylase 7 | 92.27% | 89.44% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 91.86% | 93.99% |
| CHEMBL4145 | Q9UKV0 | Histone deacetylase 9 | 91.63% | 85.49% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 91.14% | 94.45% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 89.87% | 91.11% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 89.34% | 95.56% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 88.99% | 94.75% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 88.87% | 99.17% |
| CHEMBL2535 | P11166 | Glucose transporter | 88.49% | 98.75% |
| CHEMBL213 | P08588 | Beta-1 adrenergic receptor | 87.81% | 95.56% |
| CHEMBL3310 | Q96DB2 | Histone deacetylase 11 | 86.91% | 88.56% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 86.80% | 96.00% |
| CHEMBL2885 | P07451 | Carbonic anhydrase III | 86.60% | 87.45% |
| CHEMBL2581 | P07339 | Cathepsin D | 85.96% | 98.95% |
| CHEMBL1781 | P11387 | DNA topoisomerase I | 84.18% | 97.00% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 83.33% | 85.14% |
| CHEMBL1821 | P08173 | Muscarinic acetylcholine receptor M4 | 82.93% | 94.08% |
| CHEMBL5103 | Q969S8 | Histone deacetylase 10 | 82.04% | 90.08% |
| CHEMBL5747 | Q92793 | CREB-binding protein | 81.33% | 95.12% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 81.21% | 86.33% |
| CHEMBL2563 | Q9UQL6 | Histone deacetylase 5 | 80.54% | 89.67% |
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.
| Ailanthus altissima |
| PubChem | 13558672 |
| LOTUS | LTS0132618 |
| wikiData | Q105309048 |