(1S,9S,10R,11R,14S,15R,16S)-10-ethyl-14-methyl-12-oxa-4-azatetracyclo[7.6.1.04,16.011,15]hexadecan-13-one
PubChem CID: 11601553
Connections displayed (default: 10).
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| Prediction Swissadme | 1.0 |
|---|---|
| Topological Polar Surface Area | 29.5 |
| Hydrogen Bond Donor Count | 0.0 |
| Inchi Key | ROIHYOJMCBKEER-PXAKHZPESA-N |
| Fcsp3 | 0.9411764705882352 |
| Rotatable Bond Count | 1.0 |
| Heavy Atom Count | 20.0 |
| Compound Name | (1S,9S,10R,11R,14S,15R,16S)-10-ethyl-14-methyl-12-oxa-4-azatetracyclo[7.6.1.04,16.011,15]hexadecan-13-one |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 277.204 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 277.204 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 410.0 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 277.4 |
| Database Name | cmaup_ingredients;pubchem |
| Covalent Unit Count | 1.0 |
| Defined Atom Stereocenter Count | 7.0 |
| Iupac Name | (1S,9S,10R,11R,14S,15R,16S)-10-ethyl-14-methyl-12-oxa-4-azatetracyclo[7.6.1.04,16.011,15]hexadecan-13-one |
| Total Atom Stereocenter Count | 7.0 |
| Total Bond Stereocenter Count | 0.0 |
| Prediction Hob | 0.0 |
| Esol | -3.5351296000000003 |
| Inchi | InChI=1S/C17H27NO2/c1-3-11-12-6-4-5-8-18-9-7-13(15(12)18)14-10(2)17(19)20-16(11)14/h10-16H,3-9H2,1-2H3/t10-,11+,12-,13-,14-,15-,16+/m0/s1 |
| Smiles | CC[C@@H]1[C@@H]2CCCCN3[C@@H]2[C@@H](CC3)[C@H]4[C@@H]1OC(=O)[C@H]4C |
| Xlogp | 3.2 |
| Defined Bond Stereocenter Count | 0.0 |
| Molecular Formula | C17H27NO2 |
- 1. Outgoing r'ship
FOUND_INto/from Stemona Japonica (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Stemona Sessilifolia (Plant) Rel Props:Source_db:cmaup_ingredients - 3. Outgoing r'ship
FOUND_INto/from Stemona Tuberosa (Plant) Rel Props:Source_db:cmaup_ingredients