Summary

IMPPAT Phytochemical identifier: IMPHY000619

Phytochemical name: Perillyl alcohol

Synonymous chemical names:
dihydrocuminyl alcohol, isocarveol, perilla alcohol, perillyl alcohol, perillylalcohol

External chemical identifiers:
CID:10819, ChEMBL:CHEMBL444711, ChEBI:15420, FDASRS:319R5C7293, SureChEMBL:SCHEMBL296111, MolPort-003-665-516

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Chemical structure information

SMILES:
OCC1=CCC(CC1)C(=C)C

InChI:
InChI=1S/C10H16O/c1-8(2)10-5-3-9(7-11)4-6-10/h3,10-11H,1,4-7H2,2H3

InChIKey:
NDTYTMIUWGWIMO-UHFFFAOYSA-N

DeepSMILES:
OCC=CCCCC6))C=C)C

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

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C1=CCCCC1

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: Monoterpenoids

NP Classifier Biosynthetic pathway: Terpenoids

NP Classifier Superclass: Monoterpenoids

NP Classifier Class: Menthane monoterpenoids, Monocyclic monoterpenoids

NP-Likeness score: 2.529

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Chemical structure download