Summary

IMPPAT Phytochemical identifier: IMPHY016541

Phytochemical name: 2-Bornyl propionate

Synonymous chemical names:
bornyl propionate, isobornyl propionate

External chemical identifiers:
CID:89306, ChEBI:174071, SureChEMBL:SCHEMBL309700

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Chemical structure information

SMILES:
CCC(=O)OC1CC2C(C1(C)CC2)(C)C

InChI:
InChI=1S/C13H22O2/c1-5-11(14)15-10-8-9-6-7-13(10,4)12(9,2)3/h9-10H,5-8H2,1-4H3

InChIKey:
FAFMZORPAAGQFV-UHFFFAOYSA-N

DeepSMILES:
CCC=O)OCCCCC5C)CC5)))C)C

Functional groups:
COC(C)=O

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C1CC2CCC1C2

Scaffold Graph/Node level:
C1CC2CCC1C2

Scaffold Graph level:
C1CC2CCC1C2

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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: Camphane monoterpenoids

NP-Likeness score: 1.979

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Chemical structure download