Summary

IMPPAT Phytochemical identifier: IMPHY009349

Phytochemical name: Perillic acid

Synonymous chemical names:
perillic acid

External chemical identifiers:
CID:1256, ChEMBL:CHEMBL1373981, ChEBI:36999, FDASRS:PKS69DU4ZQ, SureChEMBL:SCHEMBL465998

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Chemical structure information

SMILES:
CC(=C)C1CCC(=CC1)C(=O)O

InChI:
InChI=1S/C10H14O2/c1-7(2)8-3-5-9(6-4-8)10(11)12/h5,8H,1,3-4,6H2,2H3,(H,11,12)

InChIKey:
CDSMSBUVCWHORP-UHFFFAOYSA-N

DeepSMILES:
CC=C)CCCC=CC6))C=O)O

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

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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: 2.052

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Chemical structure download