Summary

IMPPAT Phytochemical identifier: IMPHY012591

Phytochemical name: Isolimonene

Synonymous chemical names:
isolimonene

External chemical identifiers:
CID:521268, SureChEMBL:SCHEMBL5502133

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Chemical structure information

SMILES:
CC1CCC(C=C1)C(=C)C

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

InChIKey:
TWCNAXRPQBLSNO-UHFFFAOYSA-N

DeepSMILES:
CCCCCC=C6))C=C)C

Functional groups:
C=C(C)C, CC=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: 3.067

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Chemical structure download