Summary

IMPPAT Phytochemical identifier: IMPPAT3_PHYID003107

Phytochemical name: (-)-Zingiberene

Synonymous chemical names:
zingiberene, alpha, (−)-zingiberene, (-)-zingiberene, 1,3-cyclohexandiene,5(1,5-dimethyl-4-hexenyl)-2-methyl(mw=204), zingiberene,alpha-

External chemical identifiers:
CID:CID_521253

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Chemical structure information

SMILES:
CC(=CCCC(C1CC=C(C=C1)C)C)C

InChI:
InChI=1S/C15H24/c1-12(2)6-5-7-14(4)15-10-8-13(3)9-11-15/h6,8-10,14-15H,5,7,11H2,1-4H3

InChIKey:
KKOXKGNSUHTUBV-UHFFFAOYSA-N

DeepSMILES:
CC=CCCCCCC=CC=C6))C)))))C)))))C

Functional groups:
CC=C(C)C, CC1=CCCC=C1

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C1=CCCC=C1

Scaffold Graph/Node level:
C1CCCCC1

Scaffold Graph level:
C1CCCCC1

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Lipids and lipid-like molecules

ClassyFire Class: Prenol lipids

ClassyFire Subclass: Sesquiterpenoids

NP Classifier Biosynthetic pathway: Terpenoids

NP Classifier Superclass: Sesquiterpenoids

NP Classifier Class: Bisabolane sesquiterpenoids

NP-Likeness score: 3.202

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Chemical structure download