(1R)-1,2-dimethyl-1,3,4,9-tetrahydropyrido[3,4-b]indol-7-ol
| Internal ID | ef281896-20e7-47f5-bd5e-dc1eef0f0c73 |
| Taxonomy | Alkaloids and derivatives > Harmala alkaloids |
| IUPAC Name | (1R)-1,2-dimethyl-1,3,4,9-tetrahydropyrido[3,4-b]indol-7-ol |
| SMILES (Canonical) | CC1C2=C(CCN1C)C3=C(N2)C=C(C=C3)O |
| SMILES (Isomeric) | C[C@@H]1C2=C(CCN1C)C3=C(N2)C=C(C=C3)O |
| InChI | InChI=1S/C13H16N2O/c1-8-13-11(5-6-15(8)2)10-4-3-9(16)7-12(10)14-13/h3-4,7-8,14,16H,5-6H2,1-2H3/t8-/m1/s1 |
| InChI Key | AGILGFCOHSGLIT-MRVPVSSYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C13H16N2O |
| Molecular Weight | 216.28 g/mol |
| Exact Mass | 216.126263138 g/mol |
| Topological Polar Surface Area (TPSA) | 39.30 Ų |
| XlogP | 2.00 |
| There are no found synonyms. |
![2D Structure of (1R)-1,2-dimethyl-1,3,4,9-tetrahydropyrido[3,4-b]indol-7-ol](https://plantaedb.com/storage/docs/compounds/2023/07/1r-12-dimethyl-1349-tetrahydropyrido34-bindol-7-ol.jpg "2D Structure of (1R)-1,2-dimethyl-1,3,4,9-tetrahydropyrido[3,4-b]indol-7-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 |
|---|---|---|---|---|
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 98.70% | 93.40% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 97.42% | 96.09% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 96.82% | 91.49% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 92.54% | 94.45% |
| CHEMBL2581 | P07339 | Cathepsin D | 92.29% | 98.95% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 92.23% | 91.11% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 91.60% | 95.56% |
| CHEMBL1163125 | O60885 | Bromodomain-containing protein 4 | 91.59% | 97.31% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 88.72% | 90.00% |
| CHEMBL2535 | P11166 | Glucose transporter | 87.52% | 98.75% |
| CHEMBL206 | P03372 | Estrogen receptor alpha | 85.36% | 97.64% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 84.40% | 95.89% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 84.13% | 93.99% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 83.83% | 90.71% |
| CHEMBL2146302 | O94925 | Glutaminase kidney isoform, mitochondrial | 83.01% | 100.00% |
| CHEMBL3155 | P34969 | Serotonin 7 (5-HT7) receptor | 82.77% | 90.71% |
| CHEMBL2288 | Q13526 | Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 | 82.68% | 91.71% |
| CHEMBL3227 | P41594 | Metabotropic glutamate receptor 5 | 82.52% | 96.42% |
| CHEMBL217 | P14416 | Dopamine D2 receptor | 82.26% | 95.62% |
| CHEMBL2041 | P07949 | Tyrosine-protein kinase receptor RET | 82.09% | 91.79% |
| CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 81.84% | 89.62% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 81.80% | 89.00% |
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.
| Elaeagnus angustifolia |