(1R,2R,10S,13R,14R,15S)-14-hydroxy-15-methyl-6-azatetracyclo[8.6.0.01,6.02,13]hexadecan-11-one
PubChem CID: 11666123
Connections displayed (default: 10).
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| Topological Polar Surface Area | 40.5 |
|---|---|
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 19.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 410.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 6.0 |
| Iupac Name | (1R,2R,10S,13R,14R,15S)-14-hydroxy-15-methyl-6-azatetracyclo[8.6.0.01,6.02,13]hexadecan-11-one |
| Prediction Hob | 0.0 |
| Xlogp | 1.4 |
| Molecular Formula | C16H25NO2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | LBISDCPXNBKNSN-PCKPYIHYSA-N |
| Fcsp3 | 0.9375 |
| Logs | -2.636 |
| Rotatable Bond Count | 0.0 |
| Logd | 1.34 |
| Compound Name | (1R,2R,10S,13R,14R,15S)-14-hydroxy-15-methyl-6-azatetracyclo[8.6.0.01,6.02,13]hexadecan-11-one |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 263.189 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 263.189 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 263.37 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 6.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -2.3738621999999996 |
| Inchi | InChI=1S/C16H25NO2/c1-10-9-16-12-4-2-6-17(16)7-3-5-13(16)14(18)8-11(12)15(10)19/h10-13,15,19H,2-9H2,1H3/t10-,11+,12+,13+,15+,16+/m0/s1 |
| Smiles | C[C@H]1C[C@]23[C@@H]4CCCN2CCC[C@@H]3C(=O)C[C@H]4[C@@H]1O |
| Nring | 4.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Huperzia Miyoshiana (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Lycopodium Japonicum (Plant) Rel Props:Source_db:cmaup_ingredients