Summary

IMPPAT Phytochemical identifier: IMPHY017210

Phytochemical name: 4-Ethenyl-2,5-dimethylhexa-1,5-dien-3-ol

Synonymous chemical names:
isolyratol

External chemical identifiers:
CID:21630873

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Chemical structure information

SMILES:
C=CC(C(C(=C)C)O)C(=C)C

InChI:
InChI=1S/C10H16O/c1-6-9(7(2)3)10(11)8(4)5/h6,9-11H,1-2,4H2,3,5H3

InChIKey:
YAATZFSMWSSRHJ-UHFFFAOYSA-N

DeepSMILES:
C=CCCC=C)C))O))C=C)C

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

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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: Monoterpenoids

NP Classifier Class: Acyclic monoterpenoids, Irregular monoterpenoids

NP-Likeness score: 1.669

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Chemical structure download