Summary

IMPPAT Phytochemical identifier: IMPHY009750

Phytochemical name: Bornyl isobutyrate

Synonymous chemical names:
bornyl isobutyrate

External chemical identifiers:
CID:91226, SureChEMBL:SCHEMBL1628256

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Chemical structure information

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

InChI:
InChI=1S/C14H24O2/c1-9(2)12(15)16-11-8-10-6-7-14(11,5)13(10,3)4/h9-11H,6-8H2,1-5H3

InChIKey:
KRKIAJBQOUBNSE-UHFFFAOYSA-N

DeepSMILES:
O=CCC)C))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: 2.045

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Chemical structure download