Summary

IMPPAT Phytochemical identifier: IMPHY016555

Phytochemical name: Carvyl propionate

Synonymous chemical names:
carvyl propionate

External chemical identifiers:
CID:7336, SureChEMBL:SCHEMBL891525

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Chemical structure information

SMILES:
CCC(=O)OC1CC(CC=C1C)C(=C)C

InChI:
InChI=1S/C13H20O2/c1-5-13(14)15-12-8-11(9(2)3)7-6-10(12)4/h6,11-12H,2,5,7-8H2,1,3-4H3

InChIKey:
DFVXNZOMAOGTBL-UHFFFAOYSA-N

DeepSMILES:
CCC=O)OCCCCC=C6C))))C=C)C

Functional groups:
C=C(C)C, CC=C(C)C, COC(C)=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, Monocyclic monoterpenoids

NP-Likeness score: 2.253

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Chemical structure download