Epicubebol methyl ether
PubChem CID: 70698107
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| Compound Synonyms | epicubebol methyl ether, CHEBI:69077, Q27137417 |
|---|---|
| Topological Polar Surface Area | 9.2 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 17.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 323.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 6.0 |
| Iupac Name | (1R,4R,5R,6R,7S,10R)-4-methoxy-4,10-dimethyl-7-propan-2-yltricyclo[4.4.0.01,5]decane |
| Nih Violation | False |
| Prediction Hob | 0.0 |
| Xlogp | 4.5 |
| Is Pains | False |
| Molecular Formula | C16H28O |
| Prediction Swissadme | 0.0 |
| Inchi Key | KGDMYCGPRNMUSW-ZTYXSZCMSA-N |
| Fcsp3 | 1.0 |
| Rotatable Bond Count | 2.0 |
| Compound Name | Epicubebol methyl ether |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 236.214 |
| Formal Charge | 0.0 |
| Brenk Violation | False |
| Monoisotopic Mass | 236.214 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 236.39 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 6.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.9834738 |
| Inchi | InChI=1S/C16H28O/c1-10(2)12-7-6-11(3)16-9-8-15(4,17-5)14(16)13(12)16/h10-14H,6-9H2,1-5H3/t11-,12+,13-,14+,15-,16-/m1/s1 |
| Smiles | C[C@@H]1CC[C@H]([C@H]2[C@]13[C@@H]2[C@](CC3)(C)OC)C(C)C |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Neolitsea Daibuensis (Plant) Rel Props:Source_db:cmaup_ingredients