17alpha-Yohimbol
PubChem CID: 6857506
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| Compound Synonyms | 17alpha-yohimbol, yohimban-17alpha-ol, CHEBI:35636, (1S,15R,18S,20R)-1,3,11,12,14,15,16,17,18,19,20,21-dodecahydroyohimban-18-ol, CHEMBL4077187, SCHEMBL24240057, Q27116538 |
|---|---|
| Topological Polar Surface Area | 39.3 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 22.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 428.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 4.0 |
| Iupac Name | (1S,15R,18S,20R)-1,3,11,12,14,15,16,17,18,19,20,21-dodecahydroyohimban-18-ol |
| Prediction Hob | 1.0 |
| Xlogp | 2.9 |
| Molecular Formula | C19H24N2O |
| Prediction Swissadme | 0.0 |
| Inchi Key | YZHQOLWNBFSHQZ-NUXNZHGMSA-N |
| Fcsp3 | 0.5789473684210527 |
| Logs | -3.381 |
| Rotatable Bond Count | 0.0 |
| Logd | 3.418 |
| Compound Name | 17alpha-Yohimbol |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 296.189 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 296.189 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 296.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 4.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.8011940727272724 |
| 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/t12-,13-,14-,18-/m0/s1 |
| Smiles | C1C[C@H]2CN3CCC4=C([C@@H]3C[C@@H]2C[C@H]1O)NC5=CC=CC=C45 |
| Nring | 5.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Hunteria Zeylanica (Plant) Rel Props:Source_db:cmaup_ingredients