基本情報
- 標準SMILES
CC(C)=CCC[C@@H](C)[C@@H]1C=CC(C)=CC1- InChIKey
KKOXKGNSUHTUBV-HUUCEWRRSA-N- 分子式
- C15H24
- 平均分子量
- 204.35 g/mol
概要
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.
名称と識別子
- 優先名称
- 7-Epizingiberene
- IUPAC
- (5R)-2-methyl-5-[(2R)-6-methylhept-5-en-2-yl]cyclohexa-1,3-diene
名称と別名
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
データベース識別子
- PubChem CID
- 21729595
- ChEBI
CHEBI:71688- Nikkaji
- J2.933.226F
物性
構造計算による物性
- XLogP
- 5.2
- 極性表面積
- 0 Ų
- 水素結合供与体数
- 0
- 水素結合受容体数
- 0
- 回転可能結合数
- 4
- 重原子数
- 15
- 形式電荷
- 0
- 複雑度
- 274
関連反応
2 件
化合物ノート
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