[(1R,2R,10S,13S,14R,15S)-15-methyl-11-oxo-6-azatetracyclo[8.6.0.01,6.02,13]hexadecan-14-yl] acetate
PubChem CID: 162942300
Connections displayed (default: 10).
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| Topological Polar Surface Area | 46.6 |
|---|---|
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 22.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 505.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 6.0 |
| Iupac Name | [(1R,2R,10S,13S,14R,15S)-15-methyl-11-oxo-6-azatetracyclo[8.6.0.01,6.02,13]hexadecan-14-yl] acetate |
| Prediction Hob | 1.0 |
| Xlogp | 2.0 |
| Molecular Formula | C18H27NO3 |
| Prediction Swissadme | 1.0 |
| Inchi Key | UYCTWNLAFGDBDF-AFPVLIRGSA-N |
| Fcsp3 | 0.8888888888888888 |
| Logs | 0.859 |
| Rotatable Bond Count | 2.0 |
| Logd | 0.315 |
| Compound Name | [(1R,2R,10S,13S,14R,15S)-15-methyl-11-oxo-6-azatetracyclo[8.6.0.01,6.02,13]hexadecan-14-yl] acetate |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 305.199 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 305.199 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 305.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 6.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -2.8678916000000005 |
| Inchi | InChI=1S/C18H27NO3/c1-11-10-18-14-5-3-7-19(18)8-4-6-15(18)16(21)9-13(14)17(11)22-12(2)20/h11,13-15,17H,3-10H2,1-2H3/t11-,13-,14+,15+,17+,18+/m0/s1 |
| Smiles | C[C@H]1C[C@]23[C@@H]4CCCN2CCC[C@@H]3C(=O)C[C@@H]4[C@@H]1OC(=O)C |
| Nring | 0.0 |
| 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