(-)-19(R)-hydroxyeburnamenine
PubChem CID: 127030478
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| Compound Synonyms | CHEMBL3780754, (-)-19(R)-hydroxyeburnamenine |
|---|---|
| Topological Polar Surface Area | 28.4 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 22.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 492.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 3.0 |
| Iupac Name | (1R)-1-[(15S,19R)-1,11-diazapentacyclo[9.6.2.02,7.08,18.015,19]nonadeca-2,4,6,8(18),16-pentaen-15-yl]ethanol |
| Prediction Hob | 1.0 |
| Xlogp | 2.5 |
| Molecular Formula | C19H22N2O |
| Prediction Swissadme | 1.0 |
| Inchi Key | QBSCDFNZXUJWFL-ZNZDAUKMSA-N |
| Fcsp3 | 0.4736842105263157 |
| Logs | -2.503 |
| Rotatable Bond Count | 1.0 |
| Logd | 2.564 |
| Compound Name | (-)-19(R)-hydroxyeburnamenine |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 294.173 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 294.173 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 294.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 3.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.502194872727274 |
| Inchi | InChI=1S/C19H22N2O/c1-13(22)19-8-4-10-20-11-7-15-14-5-2-3-6-16(14)21(12-9-19)17(15)18(19)20/h2-3,5-6,9,12-13,18,22H,4,7-8,10-11H2,1H3/t13-,18+,19-/m1/s1 |
| Smiles | C[C@H]([C@]12CCCN3[C@H]1C4=C(CC3)C5=CC=CC=C5N4C=C2)O |
| Nring | 5.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Kopsia Pauciflora (Plant) Rel Props:Source_db:cmaup_ingredients