Summary

IMPPAT Phytochemical identifier: IMPPAT3_PHYID006280

Phytochemical name: (+)-p-Menth-1-ene

Synonymous chemical names:
menthene, p-menth-1-ene, Menthene

External chemical identifiers:
CID:CID_11815433, ChEBI:CHEBI:134313, ZINC:ZINC000085432844, SureChEMBL:SCHEMBL16796012

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Chemical structure information

SMILES:
CC1=CC[C@H](CC1)C(C)C

InChI:
InChI=1S/C10H18/c1-8(2)10-6-4-9(3)5-7-10/h4,8,10H,5-7H2,1-3H3/t10-/m1/s1

InChIKey:
FAMJUFMHYAFYNU-SNVBAGLBSA-N

DeepSMILES:
CC=CC[C@H]CC6))CC)C

Functional groups:
CC=C(C)C

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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, Monocyclic monoterpenoids

NP-Likeness score: 2.273

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Chemical structure download