Serratinane-5,13-dione
PubChem CID: 73357774
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| Compound Synonyms | Serratinane-5,13-dione, (-)-8-Deoxy-13-dehydroserratinine, Serratinine, 8,14-dideoxy-14-oxo-, 14478-54-7 |
|---|---|
| Topological Polar Surface Area | 37.4 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 19.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 446.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 3.0 |
| Iupac Name | (1S,4R,6S)-4-methyl-12-azatetracyclo[7.6.1.01,6.012,16]hexadecane-2,8-dione |
| Prediction Hob | 0.0 |
| Xlogp | 1.3 |
| Molecular Formula | C16H23NO2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | ZNONLERYDQDGRQ-RWRNEIEHSA-N |
| Fcsp3 | 0.875 |
| Logs | -1.8 |
| Rotatable Bond Count | 0.0 |
| Logd | 1.42 |
| Compound Name | Serratinane-5,13-dione |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 261.173 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 261.173 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 261.36 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 5.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -2.3046629999999992 |
| Inchi | InChI=1S/C16H23NO2/c1-10-7-11-9-13(18)12-3-6-17-5-2-4-16(11,15(12)17)14(19)8-10/h10-12,15H,2-9H2,1H3/t10-,11+,12?,15?,16-/m1/s1 |
| Smiles | C[C@@H]1C[C@H]2CC(=O)C3CCN4C3[C@@]2(CCC4)C(=O)C1 |
| Nring | 4.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Lycopodium Japonicum (Plant) Rel Props:Source_db:cmaup_ingredients