Summary

IMPPAT Phytochemical identifier: IMPHY000711

Phytochemical name: Bornylene

Synonymous chemical names:
2-bornene, bicyclo[2.2.1]hept-2-ene, 1,7,7- trimethyl or 2-bornene, bornylene

External chemical identifiers:
CID:10047, FDASRS:F7WB27RKZC, SureChEMBL:SCHEMBL737689

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Chemical structure information

SMILES:
CC1(C)C2CCC1(C)C=C2

InChI:
InChI=1S/C10H16/c1-9(2)8-4-6-10(9,3)7-5-8/h4,6,8H,5,7H2,1-3H3

InChIKey:
KUKRLSJNTMLPPK-UHFFFAOYSA-N

DeepSMILES:
CCC)CCCC5C)C=C6

Functional groups:
CC=CC

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C1=CC2CCC1C2

Scaffold Graph/Node level:
C1CC2CCC1C2

Scaffold Graph level:
C1CC2CCC1C2

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Hydrocarbons

ClassyFire Class: Polycyclic hydrocarbons

NP Classifier Biosynthetic pathway: Terpenoids

NP Classifier Superclass: Monoterpenoids

NP Classifier Class: Fenchane monoterpenoids

NP-Likeness score: 3.076

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Chemical structure download