2,3,4,13-Tetrahydroindolo[2',3':3,4]pyrido[1,2-b]isoquinolin-5(1H)-one
| Internal ID | 3f6e9425-6f91-46fe-82bb-b64e880c2609 |
| Taxonomy | Organoheterocyclic compounds > Indoles and derivatives > Pyridoindoles > Beta carbolines |
| IUPAC Name | 16,17,18,19-tetrahydro-3H-yohimban-14-one |
| SMILES (Canonical) | C1CCC2=C(C1)C=C3C4=C(C=CN3C2=O)C5=CC=CC=C5N4 |
| SMILES (Isomeric) | C1CCC2=C(C1)C=C3C4=C(C=CN3C2=O)C5=CC=CC=C5N4 |
| InChI | InChI=1S/C19H16N2O/c22-19-13-6-2-1-5-12(13)11-17-18-15(9-10-21(17)19)14-7-3-4-8-16(14)20-18/h3-4,7-11,20H,1-2,5-6H2 |
| InChI Key | DXBKHLCWCLNLMS-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C19H16N2O |
| Molecular Weight | 288.30 g/mol |
| Exact Mass | 288.126263138 g/mol |
| Topological Polar Surface Area (TPSA) | 36.10 Ų |
| XlogP | 3.30 |
| 865187-16-2 |
![2D Structure of 2,3,4,13-Tetrahydroindolo[2',3':3,4]pyrido[1,2-b]isoquinolin-5(1H)-one](https://plantaedb.com/storage/docs/compounds/2023/11/23413-tetrahydroindolo2334pyrido12-bisoquinolin-51h-one.jpg "2D Structure of 2,3,4,13-Tetrahydroindolo[2',3':3,4]pyrido[1,2-b]isoquinolin-5(1H)-one")
| 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 | 98.75% | 93.40% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 98.75% | 93.99% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 98.57% | 91.49% |
| CHEMBL2581 | P07339 | Cathepsin D | 98.30% | 98.95% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 94.42% | 95.56% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 93.65% | 91.11% |
| CHEMBL255 | P29275 | Adenosine A2b receptor | 91.81% | 98.59% |
| CHEMBL2095172 | P14867 | GABA-A receptor; alpha-1/beta-2/gamma-2 | 91.54% | 92.67% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 90.77% | 89.00% |
| CHEMBL2288 | Q13526 | Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 | 89.32% | 91.71% |
| CHEMBL2708 | Q16584 | Mitogen-activated protein kinase kinase kinase 11 | 89.16% | 81.14% |
| CHEMBL4302 | P08183 | P-glycoprotein 1 | 88.72% | 92.98% |
| CHEMBL2094121 | P14867 | GABA-A receptor; alpha-1/beta-3/gamma-2 | 86.64% | 95.50% |
| CHEMBL217 | P14416 | Dopamine D2 receptor | 85.80% | 95.62% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 85.10% | 96.09% |
| CHEMBL1781 | P11387 | DNA topoisomerase I | 84.37% | 97.00% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 84.32% | 85.14% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 82.95% | 86.33% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 82.29% | 94.75% |
| CHEMBL1978 | P11511 | Cytochrome P450 19A1 | 80.89% | 91.76% |
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.
| Gelsemium sempervirens |
| PubChem | 11483103 |
| LOTUS | LTS0054125 |
| wikiData | Q104990924 |