Basic information
- Standard SMILES
CC(C)=CCC[C@@H](C)[C@@H]1C=CC(C)=CC1- InChIKey
KKOXKGNSUHTUBV-HUUCEWRRSA-N- Molecular formula
- C15H24
- Average molar mass
- 204.35 g/mol
Overview
7-epi-zingiberene is a sesquiterpene that is 2-methylcyclohexa-1,3-diene in which a hydrogen at the 5 position is substituted (R configuration) by a 6-methyl-hept-5-en-2-yl group (R configuration). 7-Epizingiberene is a specific sesquiterpene with toxic and repellent properties that is produced and stored in glandular trichomes. It has a role as a semiochemical and an insect repellent. It is a cycloalkene and a sesquiterpene.
Names & identifiers
- Preferred name
- 7-Epizingiberene
- IUPAC
- (5R)-2-methyl-5-[(2R)-6-methylhept-5-en-2-yl]cyclohexa-1,3-diene
Names & synonyms
7-epizingiberene7-epi-zingiberene(-)-(4S,7R)-7-epizingiberene(-)-(4S,7R)-7-epi-zingibereneCHEBI:71688RefChem:106059(5R)-2-methyl-5-[(2R)-6-methylhept-5-en-2-yl]cyclohexa-1,3-diene7-epi zingibereneSCHEMBL29565713KKOXKGNSUHTUBV-HUUCEWRRSA-NC20486Q27139812
Database identifiers
- PubChem CID
- 21729595
- ChEBI
CHEBI:71688- Nikkaji
- J2.933.226F
Properties
Computed structural properties
- XLogP
- 5.2
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 4
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 274
Related reactions
2 records
Compound notes
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