Summary

IMPPAT Phytochemical identifier: IMPHY010126

Phytochemical name: Zingiberol

Synonymous chemical names:
zingiberol

Chemical structure information

SMILES:
C=C1CCCC2(C1CC(CC2)CC(O)(C)C)C

InChI:
InChI=1S/C16H28O/c1-12-6-5-8-16(4)9-7-13(10-14(12)16)11-15(2,3)17/h13-14,17H,1,5-11H2,2-4H3

InChIKey:
GMZKBWZWDAAWPI-UHFFFAOYSA-N

DeepSMILES:
C=CCCCCC6CCCC6))CCO)C)C))))))C

Functional groups:
C=C(C)C, CO

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C=C1CCCC2CCCCC12

Scaffold Graph/Node level:
CC1CCCC2CCCCC12

Scaffold Graph level:
CC1CCCC2CCCCC12

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organic oxygen compounds

ClassyFire Class: Organooxygen compounds

ClassyFire Subclass: Alcohols and polyols

NP Classifier Biosynthetic pathway: Terpenoids

NP Classifier Superclass: Sesquiterpenoids

NP Classifier Class: Eudesmane sesquiterpenoids, Oppositane sesquiterpenoids

NP-Likeness score: 2.412

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Chemical structure download