7-Epizingiberene
Grundinformationen
- Standard-SMILES
CC(C)=CCC[C@@H](C)[C@@H]1C=CC(C)=CC1- InChIKey
KKOXKGNSUHTUBV-HUUCEWRRSA-N- Summenformel
- C15H24
- Durchschnittliche Molmasse
- 204,35 g/mol
Überblick
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.
Namen und Bezeichner
- Bevorzugter Name
- 7-Epizingiberene
- IUPAC
- (5R)-2-methyl-5-[(2R)-6-methylhept-5-en-2-yl]cyclohexa-1,3-diene
Namen und Synonyme
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
Datenbank-Bezeichner
- PubChem CID
- 21729595
- ChEBI
CHEBI:71688- Nikkaji
- J2.933.226F
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 5,2
- Polarare Oberfläche (TPSA)
- 0 Ų
- H-Brücken-Donoren
- 0
- H-Brücken-Akzeptoren
- 0
- Frei drehbare Bindungen
- 4
- Schwere Atome
- 15
- Formalladung
- 0
- Komplexität
- 274
Zugehörige Reaktionen
2
Notizen zur Verbindung
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