(+)Cis-Clausenamide
PubChem CID: 10171735
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | (+)cis-Clausenamide, (3S,4S,5S)-3-hydroxy-5-((R)-hydroxy(phenyl)methyl)-1-methyl-4-phenylpyrrolidin-2-one, (3S,4S,5S)-3-hydroxy-5-[(R)-hydroxy(phenyl)methyl]-1-methyl-4-phenylpyrrolidin-2-one, CHEMBL526317, SCHEMBL8172058 |
|---|---|
| Topological Polar Surface Area | 60.8 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 22.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 388.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 4.0 |
| Uniprot Id | n.a. |
| Iupac Name | (3S,4S,5S)-3-hydroxy-5-[(R)-hydroxy(phenyl)methyl]-1-methyl-4-phenylpyrrolidin-2-one |
| Prediction Hob | 1.0 |
| Xlogp | 1.5 |
| Molecular Formula | C18H19NO3 |
| Prediction Swissadme | 1.0 |
| Inchi Key | WGYGSZOQGYRGIP-NXOAAHMSSA-N |
| Fcsp3 | 0.2777777777777778 |
| Logs | -2.149 |
| Rotatable Bond Count | 3.0 |
| Logd | 1.367 |
| Compound Name | (+)Cis-Clausenamide |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 297.136 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 297.136 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 297.3 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 4.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -2.859431163636364 |
| Inchi | InChI=1S/C18H19NO3/c1-19-15(16(20)13-10-6-3-7-11-13)14(17(21)18(19)22)12-8-4-2-5-9-12/h2-11,14-17,20-21H,1H3/t14-,15-,16+,17-/m0/s1 |
| Smiles | CN1[C@@H]([C@@H]([C@@H](C1=O)O)C2=CC=CC=C2)[C@@H](C3=CC=CC=C3)O |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Clausena Lansium (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all