Yohimbol
| Internal ID | 2fdd6753-21a7-45d9-b20d-20326078da33 |
| Taxonomy | Organoheterocyclic compounds > Indoles and derivatives > Pyridoindoles > Beta carbolines |
| IUPAC Name | 1,3,11,12,14,15,16,17,18,19,20,21-dodecahydroyohimban-18-ol |
| SMILES (Canonical) | C1CC2CN3CCC4=C(C3CC2CC1O)NC5=CC=CC=C45 |
| SMILES (Isomeric) | C1CC2CN3CCC4=C(C3CC2CC1O)NC5=CC=CC=C45 |
| InChI | InChI=1S/C19H24N2O/c22-14-6-5-12-11-21-8-7-16-15-3-1-2-4-17(15)20-19(16)18(21)10-13(12)9-14/h1-4,12-14,18,20,22H,5-11H2 |
| InChI Key | YZHQOLWNBFSHQZ-UHFFFAOYSA-N |
| Popularity | 3 references in papers |
| Molecular Formula | C19H24N2O |
| Molecular Weight | 296.40 g/mol |
| Exact Mass | 296.188863393 g/mol |
| Topological Polar Surface Area (TPSA) | 39.30 Ų |
| XlogP | 2.90 |
| MLS002920014 |
| 523-13-7 |
| Yohimban-17.alpha.-ol |
| NSC128689 |
| NSC-128689 |
| SMR001797613 |
| 1,3,11,12,14,15,16,17,18,19,20,21-dodecahydroyohimban-18-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 |
|---|---|---|---|---|
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 96.69% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 94.25% | 96.09% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 91.80% | 95.56% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 91.71% | 97.09% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 91.52% | 93.99% |
| CHEMBL2035 | P08912 | Muscarinic acetylcholine receptor M5 | 89.82% | 94.62% |
| CHEMBL1914 | P06276 | Butyrylcholinesterase | 88.74% | 95.00% |
| CHEMBL3310 | Q96DB2 | Histone deacetylase 11 | 87.92% | 88.56% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 86.41% | 94.45% |
| CHEMBL3155 | P34969 | Serotonin 7 (5-HT7) receptor | 86.08% | 90.71% |
| CHEMBL1821 | P08173 | Muscarinic acetylcholine receptor M4 | 84.99% | 94.08% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 84.82% | 93.40% |
| CHEMBL2581 | P07339 | Cathepsin D | 84.29% | 98.95% |
| CHEMBL4302 | P08183 | P-glycoprotein 1 | 84.23% | 92.98% |
| CHEMBL240 | Q12809 | HERG | 83.11% | 89.76% |
| CHEMBL2535 | P11166 | Glucose transporter | 82.89% | 98.75% |
| CHEMBL216 | P11229 | Muscarinic acetylcholine receptor M1 | 82.02% | 94.23% |
| CHEMBL5028 | O14672 | ADAM10 | 81.52% | 97.50% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 80.80% | 100.00% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 80.35% | 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.
| Hunteria zeylanica |
| Stenostomum portoricense |
| PubChem | 278769 |
| LOTUS | LTS0074637 |
| wikiData | Q104402800 |