Summary

IMPPAT Phytochemical identifier: IMPHY017835

Phytochemical name: exo-Isocamphanyl acetate

Synonymous chemical names:
exo-isocamphanyl acetate

External chemical identifiers:
CID:91747344

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Chemical structure information

SMILES:
CC(=O)O[C@@H]1C2CCC(C1(C)C)C2

InChI:
InChI=1S/C11H18O2/c1-7(12)13-10-8-4-5-9(6-8)11(10,2)3/h8-10H,4-6H2,1-3H3/t8?,9?,10-/m1/s1

InChIKey:
AIFCYJPQMNVEEG-UDNWOFFPSA-N

DeepSMILES:
CC=O)O[C@@H]CCCCC6C)C))C5

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: 2.325

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Chemical structure download