Summary

IMPPAT Phytochemical identifier: IMPHY017607

Phytochemical name: Bornyl hexanoate

Synonymous chemical names:
bornyl hexanoate

External chemical identifiers:
CID:6428965

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Chemical structure information

SMILES:
CCCCCC(=O)O[C@@H]1CC2C(C1(C)CC2)(C)C

InChI:
InChI=1S/C16H28O2/c1-5-6-7-8-14(17)18-13-11-12-9-10-16(13,4)15(12,2)3/h12-13H,5-11H2,1-4H3/t12?,13-,16?/m1/s1

InChIKey:
FVTTUTDGUCSLMA-MFOWVQHXSA-N

DeepSMILES:
CCCCCC=O)O[C@@H]CCCC5C)CC5)))C)C

Functional groups:
CC(=O)OC

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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: 1.741

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Chemical structure download