Summary

IMPPAT Phytochemical identifier: IMPHY009872

Phytochemical name: p-Mentha-3,8-diene

Synonymous chemical names:
p- mentha- 3,8- diene, p-menth-3,8-diene, p-mentha-3,8-diene, p-menthα-3,8-diene

External chemical identifiers:
CID:521851, SureChEMBL:SCHEMBL1157273

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Chemical structure information

SMILES:
CC1CCC(=CC1)C(=C)C

InChI:
InChI=1S/C10H16/c1-8(2)10-6-4-9(3)5-7-10/h6,9H,1,4-5,7H2,2-3H3

InChIKey:
AJSJXSBFZDIRIS-UHFFFAOYSA-N

DeepSMILES:
CCCCC=CC6))C=C)C

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

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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

NP-Likeness score: 2.163

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Chemical structure download