Diepi-alpha-cedrene epoxide
PubChem CID: 11074926
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| Compound Synonyms | Diepi-.alpha.-cedrene epoxide, HZRFVTRTTXBHSE-XINGSWNJSA-N |
|---|---|
| Topological Polar Surface Area | 12.5 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 16.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 360.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 4.0 |
| Iupac Name | (1S,2R,5S,7R)-2,6,6,8-tetramethyl-9-oxatetracyclo[5.4.1.01,5.08,10]dodecane |
| Prediction Hob | 1.0 |
| Xlogp | 3.9 |
| Molecular Formula | C15H24O |
| Prediction Swissadme | 0.0 |
| Inchi Key | HZRFVTRTTXBHSE-XINGSWNJSA-N |
| Fcsp3 | 1.0 |
| Logs | -4.303 |
| Rotatable Bond Count | 0.0 |
| Logd | 4.012 |
| Compound Name | Diepi-alpha-cedrene epoxide |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 220.183 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 220.183 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 220.35 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 6.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.6632071999999996 |
| Inchi | InChI=1S/C15H24O/c1-9-5-6-10-13(2,3)11-7-15(9,10)8-12-14(11,4)16-12/h9-12H,5-8H2,1-4H3/t9-,10+,11-,12?,14?,15+/m1/s1 |
| Smiles | C[C@@H]1CC[C@@H]2[C@]13C[C@H](C2(C)C)C4(C(C3)O4)C |
| Nring | 4.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Aquilaria Agallochum (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Aquilaria Sinensis (Plant) Rel Props:Source_db:cmaup_ingredients - 3. Outgoing r'ship
FOUND_INto/from Cnidium Officinale (Plant) Rel Props:Source_db:cmaup_ingredients - 4. Outgoing r'ship
FOUND_INto/from Cyperus Rotundus (Plant) Rel Props:Source_db:cmaup_ingredients - 5. Outgoing r'ship
FOUND_INto/from Ligusticum Sinense (Plant) Rel Props:Source_db:cmaup_ingredients