Bazzanene
PubChem CID: 179421
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| Compound Synonyms | Bazzanene, .beta.-Bazzanene, J4TV61KI1L, 24493-43-4, UNII-J4TV61KI1L, BAZZANENE, (+)-, (4R)-1,4-dimethyl-4-[(1S)-1-methyl-2-methylidenecyclopentyl]cyclohexene, CYCLOHEXENE, 1,4-DIMETHYL-4-((1S)-1-METHYL-2-METHYLENECYCLOPENTYL)-, (4R)-, CYCLOHEXENE, 1,4-DIMETHYL-4-(1-METHYL-2-METHYLENECYCLOPENTYL)-, (R-(R*,S*))-, beta-Bazzanene, (4R)-1,4-dimethyl-4-((1S)-1-methyl-2-methylidenecyclopentyl)cyclohexene, (4S)-1,4-dimethyl-4-((1R)-1-methyl-2-methylidenecyclopentyl)cyclohexene, (4S)-1,4-dimethyl-4-[(1R)-1-methyl-2-methylidenecyclopentyl]cyclohexene, DTXSID80947388, Q27281206, 1,4-Dimethyl-4-(1-methyl-2-methylidenecyclopentyl)cyclohex-1-ene |
|---|---|
| Topological Polar Surface Area | 0.0 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 15.0 |
| Description | Bazzanene is a member of the class of compounds known as branched unsaturated hydrocarbons. Branched unsaturated hydrocarbons are hydrocarbons that contains one or more unsaturated carbon atoms, and an aliphatic branch. Bazzanene can be found in corn, which makes bazzanene a potential biomarker for the consumption of this food product. |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 310.0 |
| Database Name | fooddb_chem_all;hmdb_chem_all;pubchem |
| Defined Atom Stereocenter Count | 2.0 |
| Iupac Name | (4R)-1,4-dimethyl-4-[(1S)-1-methyl-2-methylidenecyclopentyl]cyclohexene |
| Nih Violation | False |
| Class | Unsaturated hydrocarbons |
| Xlogp | 4.7 |
| Superclass | Hydrocarbons |
| Is Pains | False |
| Subclass | Branched unsaturated hydrocarbons |
| Molecular Formula | C15H24 |
| Inchi Key | YFLSTROSSKYYNK-GJZGRUSLSA-N |
| Rotatable Bond Count | 1.0 |
| Synonyms | (+)-beta-Bazzanene, [R-(R*,S*)]-1,4-Dimethyl-4-(1-methyl-2-methylenecyclopentyl)cyclohexene, 1,4-Dimethyl-4-(1-methyl-2-methylenecyclopentyl)cyclohexene, Bazzanene, beta-Bazzanene, Trichodiene |
| Compound Name | Bazzanene |
| 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 | 2.0 |
| Total Bond Stereocenter Count | 0.0 |
| Molecular Framework | Aliphatic homomonocyclic compounds |
| Inchi | InChI=1S/C15H24/c1-12-7-10-14(3,11-8-12)15(4)9-5-6-13(15)2/h7H,2,5-6,8-11H2,1,3-4H3/t14-,15-/m0/s1 |
| Smiles | CC1=CC[C@](CC1)(C)[C@]2(CCCC2=C)C |
| Defined Bond Stereocenter Count | 0.0 |
| Taxonomy Direct Parent | Branched unsaturated hydrocarbons |
- 1. Outgoing r'ship
FOUND_INto/from Zea Mays (Plant) Rel Props:Source_db:fooddb_chem_all