Summary

IMPPAT Phytochemical identifier: IMPHY011004

Phytochemical name: p-Mentha-1,3,8-triene

Synonymous chemical names:
1,3,8-p-menthatriene, 1,3,8-p-menthatriene*, 1,3,8-p-methatriene, 1,3,8-para-menthatriene, menthatriene (1,3,8-p), p-1,3,8-menthatriene, p-menth-1,3,8-triene, p-mentha- 1,3,8-triene, p-mentha-1,3,8 triene, p-mentha-1,3,8-triene, p-mentha-1.3.8-triene, p-menthatriene

External chemical identifiers:
CID:176983, ChEBI:89242, ZINC:ZINC000059585784

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Chemical structure information

SMILES:
CC1=CC=C(CC1)C(=C)C

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

InChIKey:
XNMPFDIYAMOYRM-UHFFFAOYSA-N

DeepSMILES:
CC=CC=CCC6))C=C)C

Functional groups:
C=C(C)C1=CC=C(C)CC1

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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-Likeness score: 2.56

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Chemical structure download