Summary

IMPPAT Phytochemical identifier: IMPHY005088

Phytochemical name: 2-Methylisoborneol

Synonymous chemical names:
2-bornanol, 2-methyl isoborneol

External chemical identifiers:
CID:16913, SureChEMBL:SCHEMBL50282

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Chemical structure information

SMILES:
CC12CCC(C2(C)C)CC1(C)O

InChI:
InChI=1S/C11H20O/c1-9(2)8-5-6-10(9,3)11(4,12)7-8/h8,12H,5-7H2,1-4H3

InChIKey:
LFYXNXGVLGKVCJ-UHFFFAOYSA-N

DeepSMILES:
CCCCCC5C)C))CC6C)O

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: Terpenoids

NP Classifier Superclass: Monoterpenoids

NP Classifier Class: Camphane monoterpenoids

NP-Likeness score: 1.983

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Chemical structure download