(1S,2R,3S,4R,6S,8R)-1,2-dimethyl-8-propan-2-yltetracyclo[4.4.0.02,4.03,7]decane
PubChem CID: 157009896
Connections displayed (default: 10).
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| Topological Polar Surface Area | 0.0 |
|---|---|
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 15.0 |
| Description | Cyclosativene can be found in a number of food items such as sweet bay, ginger, corn, and allspice, which makes cyclosativene a potential biomarker for the consumption of these food products. |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 331.0 |
| Database Name | cmaup_ingredients;fooddb_chem_all;pubchem |
| Defined Atom Stereocenter Count | 6.0 |
| Iupac Name | (1S,2R,3S,4R,6S,8R)-1,2-dimethyl-8-propan-2-yltetracyclo[4.4.0.02,4.03,7]decane |
| Nih Violation | False |
| Prediction Hob | 0.0 |
| Xlogp | 4.9 |
| Is Pains | False |
| Molecular Formula | C15H24 |
| Prediction Swissadme | 0.0 |
| Inchi Key | XBWACJDEQIZTPR-CFIZJCQXSA-N |
| Fcsp3 | 1.0 |
| Rotatable Bond Count | 1.0 |
| Synonyms | (+)-cycloisosativene, (+)-cyclosativene, Cycloisosativene, Cyclosativene |
| Compound Name | (1S,2R,3S,4R,6S,8R)-1,2-dimethyl-8-propan-2-yltetracyclo[4.4.0.02,4.03,7]decane |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 204.188 |
| Formal Charge | 0.0 |
| Brenk Violation | False |
| Monoisotopic Mass | 204.188 |
| Hydrogen Bond Acceptor Count | 0.0 |
| Molecular Weight | 204.35 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 7.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -4.1091134 |
| Inchi | InChI=1S/C15H24/c1-8(2)9-5-6-14(3)10-7-11-13(12(9)10)15(11,14)4/h8-13H,5-7H2,1-4H3/t9-,10+,11-,12?,13-,14+,15-/m1/s1 |
| Smiles | CC(C)[C@H]1CC[C@]2([C@@H]3C1[C@@H]4[C@]2([C@@H]4C3)C)C |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Carthamus Tinctorius (Plant) Rel Props:Source_db:cmaup_ingredients;fooddb_chem_all - 2. Outgoing r'ship
FOUND_INto/from Laurus Nobilis (Plant) Rel Props:Source_db:fooddb_chem_all - 3. Outgoing r'ship
FOUND_INto/from Ocimum Basilicum (Plant) Rel Props:Source_db:fooddb_chem_all - 4. Outgoing r'ship
FOUND_INto/from Pimenta Dioica (Plant) Rel Props:Source_db:fooddb_chem_all - 5. Outgoing r'ship
FOUND_INto/from Zea Mays (Plant) Rel Props:Source_db:fooddb_chem_all - 6. Outgoing r'ship
FOUND_INto/from Zingiber Officinale (Plant) Rel Props:Source_db:fooddb_chem_all