Summary

IMPPAT Phytochemical identifier: IMPHY003676

Phytochemical name: (2S,4R)-p-Mentha-1(7),8-dien-2-ol

Synonymous chemical names:
p-mentha-1(7),8-dien-2-ol

External chemical identifiers:
CID:527427, ChEBI:171972, SureChEMBL:SCHEMBL1276730

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Chemical structure information

SMILES:
CC(=C)C1CCC(=C)C(C1)O

InChI:
InChI=1S/C10H16O/c1-7(2)9-5-4-8(3)10(11)6-9/h9-11H,1,3-6H2,2H3

InChIKey:
PNVTXOFNJFHXOK-UHFFFAOYSA-N

DeepSMILES:
CC=C)CCCC=C)CC6)O

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

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C=C1CCCCC1

Scaffold Graph/Node level:
CC1CCCCC1

Scaffold Graph level:
CC1CCCCC1

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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: Sesquiterpenoids, Monoterpenoids

NP Classifier Class: Germacrane sesquiterpenoids, Monocyclic monoterpenoids

NP-Likeness score: 3.084

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Chemical structure download