(2S)-2-(4-methoxy-9H-pyrido[3,4-b]indol-1-yl)propan-1-ol
| Internal ID | d41a383d-0edf-4efc-a107-4b3471f7a14f |
| Taxonomy | Alkaloids and derivatives > Harmala alkaloids |
| IUPAC Name | (2S)-2-(4-methoxy-9H-pyrido[3,4-b]indol-1-yl)propan-1-ol |
| SMILES (Canonical) | CC(CO)C1=NC=C(C2=C1NC3=CC=CC=C32)OC |
| SMILES (Isomeric) | C[C@H](CO)C1=NC=C(C2=C1NC3=CC=CC=C32)OC |
| InChI | InChI=1S/C15H16N2O2/c1-9(8-18)14-15-13(12(19-2)7-16-14)10-5-3-4-6-11(10)17-15/h3-7,9,17-18H,8H2,1-2H3/t9-/m1/s1 |
| InChI Key | XSNMUAUBDFNEIO-SECBINFHSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C15H16N2O2 |
| Molecular Weight | 256.30 g/mol |
| Exact Mass | 256.121177757 g/mol |
| Topological Polar Surface Area (TPSA) | 58.10 Ų |
| XlogP | 2.20 |
| There are no found synonyms. |
![2D Structure of (2S)-2-(4-methoxy-9H-pyrido[3,4-b]indol-1-yl)propan-1-ol](https://plantaedb.com/storage/docs/compounds/2023/11/2s-2-4-methoxy-9h-pyrido34-bindol-1-ylpropan-1-ol.jpg "2D Structure of (2S)-2-(4-methoxy-9H-pyrido[3,4-b]indol-1-yl)propan-1-ol")
| 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 | 97.79% | 96.09% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 94.66% | 94.75% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 94.63% | 93.99% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 93.85% | 91.11% |
| CHEMBL213 | P08588 | Beta-1 adrenergic receptor | 93.10% | 95.56% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 92.99% | 94.00% |
| CHEMBL2535 | P11166 | Glucose transporter | 92.83% | 98.75% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 92.79% | 95.56% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 92.56% | 94.45% |
| CHEMBL2885 | P07451 | Carbonic anhydrase III | 92.32% | 87.45% |
| CHEMBL2716 | Q8WUI4 | Histone deacetylase 7 | 92.22% | 89.44% |
| CHEMBL4145 | Q9UKV0 | Histone deacetylase 9 | 91.96% | 85.49% |
| CHEMBL3310 | Q96DB2 | Histone deacetylase 11 | 89.68% | 88.56% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 89.59% | 99.17% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 87.65% | 96.00% |
| CHEMBL2581 | P07339 | Cathepsin D | 86.78% | 98.95% |
| CHEMBL5103 | Q969S8 | Histone deacetylase 10 | 83.36% | 90.08% |
| CHEMBL255 | P29275 | Adenosine A2b receptor | 82.79% | 98.59% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 82.15% | 90.00% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 82.02% | 85.14% |
| CHEMBL1781 | P11387 | DNA topoisomerase I | 80.59% | 97.00% |
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.
| Picrasma quassioides |
| PubChem | 162869012 |
| LOTUS | LTS0082887 |
| wikiData | Q105341122 |