Summary

IMPPAT Phytochemical identifier: IMPHY017012

Phytochemical name: Cogeijerene

Synonymous chemical names:
cogeijerene

External chemical identifiers:
CID:12303765

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Chemical structure information

SMILES:
CC1=C2C=CCCC2(CCC1)C

InChI:
InChI=1S/C12H18/c1-10-6-5-9-12(2)8-4-3-7-11(10)12/h3,7H,4-6,8-9H2,1-2H3

InChIKey:
SYDHZVHOOCXZMB-UHFFFAOYSA-N

DeepSMILES:
CC=CC=CCCC6CCC%10)))C

Functional groups:
CC=CC(C)=C(C)C

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C1=CC2=CCCCC2CC1

Scaffold Graph/Node level:
C1CCC2CCCCC2C1

Scaffold Graph level:
C1CCC2CCCCC2C1

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Hydrocarbons

ClassyFire Class: Unsaturated hydrocarbons

ClassyFire Subclass: Branched unsaturated hydrocarbons

NP Classifier Biosynthetic pathway: Terpenoids

NP Classifier Superclass: Sesquiterpenoids

NP Classifier Class: Eudesmane sesquiterpenoids

NP-Likeness score: 2.471

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Chemical structure download