(1S,4S,10S,13R,15R)-4-Hydroxy-15-methyl-6-azatetracyclo[8.6.0.01,6.02,13]hexadec-2-en-11-one
PubChem CID: 158260
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| Compound Synonyms | (1S,4S,10S,13R,15R)-4-Hydroxy-15-methyl-6-azatetracyclo[8.6.0.01,6.02,13]hexadec-2-en-11-one, 82841-97-2, HY-126658 |
|---|---|
| Topological Polar Surface Area | 40.5 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 19.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 458.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 5.0 |
| Iupac Name | (1S,4S,10S,13R,15R)-4-hydroxy-15-methyl-6-azatetracyclo[8.6.0.01,6.02,13]hexadec-2-en-11-one |
| Prediction Hob | 0.0 |
| Xlogp | 0.7 |
| Molecular Formula | C16H23NO2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | SRCDVLQWMPMBLH-VBTGVMJWSA-N |
| Fcsp3 | 0.8125 |
| Logs | -4.898 |
| Rotatable Bond Count | 0.0 |
| Logd | 3.555 |
| Compound Name | (1S,4S,10S,13R,15R)-4-Hydroxy-15-methyl-6-azatetracyclo[8.6.0.01,6.02,13]hexadec-2-en-11-one |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 261.173 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 261.173 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 261.36 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 5.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -1.9329629999999995 |
| Inchi | InChI=1S/C16H23NO2/c1-10-5-11-6-15(19)13-3-2-4-17-9-12(18)7-14(11)16(13,17)8-10/h7,10-13,18H,2-6,8-9H2,1H3/t10-,11-,12+,13-,16+/m1/s1 |
| Smiles | C[C@@H]1C[C@@H]2CC(=O)[C@H]3CCCN4[C@]3(C1)C2=C[C@@H](C4)O |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Phlegmariurus Phlegmaria (Plant) Rel Props:Source_db:cmaup_ingredients