Summary

IMPPAT Phytochemical identifier: IMPHY000406

Phytochemical name: Norbornyl acetate

Synonymous chemical names:
norbornyl acetate

External chemical identifiers:
CID:101199, SureChEMBL:SCHEMBL2623615

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Chemical structure information

SMILES:
CC(=O)OC1CC2CC1CC2

InChI:
InChI=1S/C9H14O2/c1-6(10)11-9-5-7-2-3-8(9)4-7/h7-9H,2-5H2,1H3

InChIKey:
YXNICIBZSREEPY-UHFFFAOYSA-N

DeepSMILES:
CC=O)OCCCCC5CC5

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-Likeness score: 1.25

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Chemical structure download