Summary

IMPPAT Phytochemical identifier: IMPPAT3_PHYID018099

Phytochemical name: 3-Exo-Acetoxy-borneol

Synonymous chemical names:
3-exo-Acetoxy-borneol

Chemical structure information

SMILES:
CC(=O)OC1C(O)C2(C(C1CC2)(C)C)C

InChI:
InChI=1S/C12H20O3/c1-7(13)15-9-8-5-6-12(4,10(9)14)11(8,2)3/h8-10,14H,5-6H2,1-4H3

InChIKey:
VLAWFCRDSXWJOV-UHFFFAOYSA-N

DeepSMILES:
CC=O)OCCO)CCC5CC5)))C)C))C

Functional groups:
COC(C)=O, CO

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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: 2.683

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Chemical structure download