Summary

IMPPAT Phytochemical identifier: IMPHY016539

Phytochemical name: Bornyl butyrate

Synonymous chemical names:
bornyl butyrate

External chemical identifiers:
CID:97897, ChEBI:171780, SureChEMBL:SCHEMBL310464

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Chemical structure information

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

InChI:
InChI=1S/C14H24O2/c1-5-6-12(15)16-11-9-10-7-8-14(11,4)13(10,2)3/h10-11H,5-9H2,1-4H3

InChIKey:
VIPNQHBVIDJXJE-UHFFFAOYSA-N

DeepSMILES:
CCCC=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: 1.892

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Chemical structure download