Summary

IMPPAT Phytochemical identifier: IMPHY014113

Phytochemical name: p-Mentha-2,4-diene

Synonymous chemical names:
p-mentha-2,4-diene, δ-terpinene

External chemical identifiers:
CID:6428962, FDASRS:38QSP402UI, SureChEMBL:SCHEMBL375016

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Chemical structure information

SMILES:
CC1CC=C(C=C1)C(C)C

InChI:
InChI=1S/C10H16/c1-8(2)10-6-4-9(3)5-7-10/h4,6-9H,5H2,1-3H3

InChIKey:
AAIXZDBTEWDLSG-UHFFFAOYSA-N

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

Functional groups:
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: Monocyclic monoterpenoids

NP-Likeness score: 2.47

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Chemical structure download