(-)-Selina-4,11-diene
PubChem CID: 6427714
Connections displayed (default: 10).
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| Compound Synonyms | (-)-selina-4,11-diene, ZRINCZUYERVHLK-UHFFFAOYSA-N |
|---|---|
| Topological Polar Surface Area | 0.0 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 16.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 295.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2-(2,3-dimethylbut-3-enyl)-3-ethyl-1,3-dimethylcyclohexene |
| Prediction Hob | 0.0 |
| Xlogp | 5.7 |
| Molecular Formula | C16H28 |
| Prediction Swissadme | 0.0 |
| Inchi Key | ZRINCZUYERVHLK-UHFFFAOYSA-N |
| Fcsp3 | 0.75 |
| Logs | -5.477 |
| Rotatable Bond Count | 4.0 |
| Logd | 4.838 |
| Compound Name | (-)-Selina-4,11-diene |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 220.219 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 220.219 |
| Hydrogen Bond Acceptor Count | 0.0 |
| Molecular Weight | 220.39 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 2.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -4.50828 |
| Inchi | InChI=1S/C16H28/c1-7-16(6)10-8-9-13(4)15(16)11-14(5)12(2)3/h14H,2,7-11H2,1,3-6H3 |
| Smiles | CCC1(CCCC(=C1CC(C)C(=C)C)C)C |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Capsicum Annuum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 2. Outgoing r'ship
FOUND_INto/from Cichorium Glandulosum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 3. Outgoing r'ship
FOUND_INto/from Cichorium Intybus (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 4. Outgoing r'ship
FOUND_INto/from Cyperus Rotundus (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 5. Outgoing r'ship
FOUND_INto/from Inula Helenium (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all