Summary

IMPPAT Phytochemical identifier: IMPPAT3_PHYID017957

Phytochemical name: Methyl perillate

Synonymous chemical names:
Methyl perillate

External chemical identifiers:
CID:CID_14159029

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Chemical structure information

SMILES:
COC(=O)C1=CC[C@H](CC1)C(=C)C

InChI:
InChI=1S/C11H16O2/c1-8(2)9-4-6-10(7-5-9)11(12)13-3/h6,9H,1,4-5,7H2,2-3H3/t9-/m1/s1

InChIKey:
JMMLJZJUVKEVCK-SECBINFHSA-N

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

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

NP-Likeness score: 1.769

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Chemical structure download