Bicycloelemene
PubChem CID: 76419358
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | Bicycloelemene, (-)-Bicycloelemene, a bicycloelemene, CHEBI:193106, 2-Isopropenyl-3-methyl-3-vinylbicyclo[4.1.0]heptane, 3-Ethenyl-3,7,7-trimethyl-2-(1-methylethenyl)bicyclo[4.1.0]heptane, 9CI |
|---|---|
| Topological Polar Surface Area | 0.0 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 15.0 |
| Description | Constituent of peppermint oil. Bicycloelemene is found in spearmint, peppermint, and herbs and spices. |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 310.0 |
| Database Name | fooddb_chem_all;hmdb_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 3-ethenyl-3,7,7-trimethyl-2-prop-1-en-2-ylbicyclo[4.1.0]heptane |
| Nih Violation | False |
| Class | Prenol lipids |
| Xlogp | 5.5 |
| Superclass | Lipids and lipid-like molecules |
| Is Pains | False |
| Subclass | Sesquiterpenoids |
| Molecular Formula | C15H24 |
| Inchi Key | LKQMMFFQYMYQOJ-UHFFFAOYSA-N |
| Rotatable Bond Count | 2.0 |
| Synonyms | (-)-Bicycloelemene, 2-Isopropenyl-3-methyl-3-vinylbicyclo[4.1.0]heptane, 3-Ethenyl-3,7,7-trimethyl-2-(1-methylethenyl)bicyclo[4.1.0]heptane, 9CI, 3-Ethenyl-3,7,7-trimethyl-2-(1-methylethenyl)bicyclo[4.1.0]heptane, 9ci |
| Compound Name | Bicycloelemene |
| Kingdom | Organic compounds |
| Exact Mass | 204.188 |
| Formal Charge | 0.0 |
| Brenk Violation | True |
| Monoisotopic Mass | 204.188 |
| Hydrogen Bond Acceptor Count | 0.0 |
| Molecular Weight | 204.35 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 4.0 |
| Total Bond Stereocenter Count | 0.0 |
| Molecular Framework | Aliphatic homopolycyclic compounds |
| Inchi | InChI=1S/C15H24/c1-7-15(6)9-8-11-13(14(11,4)5)12(15)10(2)3/h7,11-13H,1-2,8-9H2,3-6H3 |
| Smiles | CC(=C)C1C2C(C2(C)C)CCC1(C)C=C |
| Defined Bond Stereocenter Count | 0.0 |
| Taxonomy Direct Parent | Elemane sesquiterpenoids |
- 1. Outgoing r'ship
FOUND_INto/from Mentha Spicata (Plant) Rel Props:Source_db:fooddb_chem_all