Summary

IMPPAT Phytochemical identifier: IMPHY016273

Phytochemical name: 2-Methylenebornane

Synonymous chemical names:
2-methylenebornane

External chemical identifiers:
CID:123425, SureChEMBL:SCHEMBL4623087, MolPort-000-734-916

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Chemical structure information

SMILES:
C=C1CC2C(C1(C)CC2)(C)C

InChI:
InChI=1S/C11H18/c1-8-7-9-5-6-11(8,4)10(9,2)3/h9H,1,5-7H2,2-4H3

InChIKey:
ZASFWGOMAIPHLN-UHFFFAOYSA-N

DeepSMILES:
C=CCCCC5C)CC5)))C)C

Functional groups:
C=C(C)C

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C=C1CC2CCC1C2

Scaffold Graph/Node level:
CC1CC2CCC1C2

Scaffold Graph level:
CC1CC2CCC1C2

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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: 2.093

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Chemical structure download