Summary

IMPPAT Phytochemical identifier: IMPHY016529

Phytochemical name: 1,2,3,6-Tetramethylbicyclo[2.2.2]octane

Synonymous chemical names:
bicycle(2,2,2)octane,1,2,3,6-tetramethyl, bicycle(2,2,2)octane-1,2,3,6-tetramethyl

External chemical identifiers:
CID:572856

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Chemical structure information

SMILES:
CC1C2CCC(C1C)(C(C2)C)C

InChI:
InChI=1S/C12H22/c1-8-7-11-5-6-12(8,4)10(3)9(11)2/h8-11H,5-7H2,1-4H3

InChIKey:
RYYCONITTSRFND-UHFFFAOYSA-N

DeepSMILES:
CCCCCCC6C))CC6)C))C

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C1CC2CCC1CC2

Scaffold Graph/Node level:
C1CC2CCC1CC2

Scaffold Graph level:
C1CC2CCC1CC2

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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: Sesquiterpenoids

NP Classifier Class: Eremophilane sesquiterpenoids, Nardosinane sesquiterpenoids

NP-Likeness score: 2.142

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Chemical structure download