Summary

IMPPAT Phytochemical identifier: IMPHY016634

Phytochemical name: endo-Norborneol

Synonymous chemical names:
endo-2-norborneol

External chemical identifiers:
CID:12313474, ChEMBL:CHEMBL1908062, SureChEMBL:SCHEMBL3190520

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Chemical structure information

SMILES:
O[C@H]1CC2CC1CC2

InChI:
InChI=1S/C7H12O/c8-7-4-5-1-2-6(7)3-5/h5-8H,1-4H2/t5?,6?,7-/m0/s1

InChIKey:
ZQTYQMYDIHMKQB-AHXFUIDQSA-N

DeepSMILES:
O[C@H]CCCC5CC5

Functional groups:
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: Alkaloids

NP-Likeness score: 1.534

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Chemical structure download