Summary

IMPPAT Phytochemical identifier: IMPHY014847

Phytochemical name: Bornyl acetate

Synonymous chemical names:
bomyl acetate, bomylacetate, bornyl acetate, bornyl acatate, bornyl acetate, bornyl acetate (12)*, bornyl acetate (8), bornyl acetate*, bornyle acetate, isobornyl or bornyl acetate

External chemical identifiers:
CID:6448, ChEMBL:CHEMBL1439452, SureChEMBL:SCHEMBL117760, MolPort-000-743-453

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Chemical structure information

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

InChI:
InChI=1S/C12H20O2/c1-8(13)14-10-7-9-5-6-12(10,4)11(9,2)3/h9-10H,5-7H2,1-4H3

InChIKey:
KGEKLUUHTZCSIP-UHFFFAOYSA-N

DeepSMILES:
CC=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: 2.33

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Chemical structure download