Summary

IMPPAT Phytochemical identifier: IMPHY014988

Phytochemical name: Limonene

Synonymous chemical names:
*limonene, dipentene, lemonene, limonen, limonene, limonene*, limonenem, lirnonene, litnonene

External chemical identifiers:
CID:22311, ChEMBL:CHEMBL15799, ChEBI:15384, FDASRS:9MC3I34447, SureChEMBL:SCHEMBL8829, MolPort-001-782-985

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Chemical structure information

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

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

InChIKey:
XMGQYMWWDOXHJM-UHFFFAOYSA-N

DeepSMILES:
CC=CCCCC6))C=C)C

Functional groups:
C=C(C)C, 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: 2.359

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Chemical structure download