(1R,2R,3S,10S,13S,15R)-3-hydroxy-15-methyl-6-azatetracyclo[8.6.0.01,6.02,13]hexadecan-11-one
PubChem CID: 11129147
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,3S,10S,13S,15R)-3-hydroxy-15-methyl-6-azatetracyclo[8.6.0.01,6.02,13]hexadecan-11-one |
| Prediction Hob | 0.0 |
| Xlogp | 1.6 |
| Molecular Formula | C16H25NO2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | QPVQGYVJKIXZFG-GMCZJSKOSA-N |
| Fcsp3 | 0.9375 |
| Logs | 2.434 |
| Rotatable Bond Count | 0.0 |
| Logd | 0.236 |
| Compound Name | (1R,2R,3S,10S,13S,15R)-3-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 | -2.4998118 |
| Inchi | InChI=1S/C16H25NO2/c1-10-7-11-8-14(19)12-3-2-5-17-6-4-13(18)15(11)16(12,17)9-10/h10-13,15,18H,2-9H2,1H3/t10-,11+,12-,13+,15+,16+/m1/s1 |
| Smiles | C[C@@H]1C[C@H]2CC(=O)[C@H]3CCCN4[C@]3(C1)[C@@H]2[C@H](CC4)O |
| Nring | 8.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Huperzia Serrata (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Lycopodium Japonicum (Plant) Rel Props:Source_db:cmaup_ingredients