Summary

IMPPAT Phytochemical identifier: IMPHY013977

Phytochemical name: p-Mentha-1,5,8-triene

Synonymous chemical names:
1,5,8-p-menthatriene, p-mentha-1,5,8-triene, p-menthα-1,5,8-triene, ρ-mentha-1,4,5-triene

External chemical identifiers:
CID:527424, SureChEMBL:SCHEMBL20522668

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Chemical structure information

SMILES:
CC1=CCC(C=C1)C(=C)C

InChI:
InChI=1S/C10H14/c1-8(2)10-6-4-9(3)5-7-10/h4-6,10H,1,7H2,2-3H3

InChIKey:
NJLNIOKPXKKALD-UHFFFAOYSA-N

DeepSMILES:
CC=CCCC=C6))C=C)C

Functional groups:
C=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: Monoterpenoids

NP Classifier Biosynthetic pathway: Terpenoids

NP Classifier Superclass: Monoterpenoids

NP Classifier Class: Menthane monoterpenoids

NP-Likeness score: 2.712

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Chemical structure download