Summary

IMPPAT Phytochemical identifier: IMPHY016801

Phytochemical name: Mentha-1,4,8-triene

Synonymous chemical names:
p-mentha-1,4,8-triene

External chemical identifiers:
CID:527141

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Chemical structure information

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

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

InChIKey:
SCBBUPSCKNUDCO-UHFFFAOYSA-N

DeepSMILES:
CC=CCC=CC6))C=C)C

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

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C1=CCC=CC1

Scaffold Graph/Node level:
C1CCCCC1

Scaffold Graph level:
C1CCCCC1

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Hydrocarbons

ClassyFire Class: Unsaturated hydrocarbons

ClassyFire Subclass: Branched unsaturated hydrocarbons

NP Classifier Biosynthetic pathway: Terpenoids

NP Classifier Superclass: Monoterpenoids

NP-Likeness score: 2.204

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Chemical structure download