(1R,2R,10S,13R,14S,15R)-15-methyl-6-azatetracyclo[8.6.0.01,6.02,13]hexadecan-14-ol
PubChem CID: 163194741
Connections displayed (default: 10).
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| Topological Polar Surface Area | 23.5 |
|---|---|
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 18.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 344.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 6.0 |
| Iupac Name | (1R,2R,10S,13R,14S,15R)-15-methyl-6-azatetracyclo[8.6.0.01,6.02,13]hexadecan-14-ol |
| Prediction Hob | 0.0 |
| Xlogp | 2.7 |
| Molecular Formula | C16H27NO |
| Prediction Swissadme | 0.0 |
| Inchi Key | ANZDCOUFLQZNEJ-SDSMMKDESA-N |
| Fcsp3 | 1.0 |
| Logs | -3.662 |
| Rotatable Bond Count | 0.0 |
| Logd | 3.42 |
| Compound Name | (1R,2R,10S,13R,14S,15R)-15-methyl-6-azatetracyclo[8.6.0.01,6.02,13]hexadecan-14-ol |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 249.209 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 249.209 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 249.39 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 6.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.0809675999999997 |
| Inchi | InChI=1S/C16H27NO/c1-11-10-16-12-4-2-8-17(16)9-3-5-14(16)13(7-6-12)15(11)18/h11-15,18H,2-10H2,1H3/t11-,12-,13-,14-,15+,16-/m1/s1 |
| Smiles | C[C@@H]1C[C@]23[C@@H]4CCCN2CCC[C@@H]3[C@H]([C@H]1O)CC4 |
| Nring | 4.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Cocculus Laurifolius (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Dalbergia Cochinchinensis (Plant) Rel Props:Source_db:cmaup_ingredients - 3. Outgoing r'ship
FOUND_INto/from Gunnera Perpensa (Plant) Rel Props:Source_db:cmaup_ingredients - 4. Outgoing r'ship
FOUND_INto/from Petiveria Alliacea (Plant) Rel Props:Source_db:cmaup_ingredients