Summary

IMPPAT Phytochemical identifier: IMPHY016540

Phytochemical name: Bornyl valerate

Synonymous chemical names:
bornyl pentanoate

External chemical identifiers:
CID:110801, ChEMBL:CHEMBL2253147, SureChEMBL:SCHEMBL1171684

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Chemical structure information

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

InChI:
InChI=1S/C15H26O2/c1-5-6-7-13(16)17-12-10-11-8-9-15(12,4)14(11,2)3/h11-12H,5-10H2,1-4H3

InChIKey:
ILUAVCBOWYHFAI-UHFFFAOYSA-N

DeepSMILES:
CCCCC=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: 1.73

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Chemical structure download