Summary

IMPPAT Phytochemical identifier: IMPHY012624

Phytochemical name: 1,5,5-Trimethyl-6-methylene-cyclohexene

Synonymous chemical names:
1,5,5-trimethyl-6-methylene-cyclohexene, 1.5.5-trimethyl-6-methylene-cyclohexene

External chemical identifiers:
CID:578237, ZINC:ZINC000085644689, SureChEMBL:SCHEMBL9726371

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Chemical structure information

SMILES:
CC1=CCCC(C1=C)(C)C

InChI:
InChI=1S/C10H16/c1-8-6-5-7-10(3,4)9(8)2/h6H,2,5,7H2,1,3-4H3

InChIKey:
FMXKKHBXBBAQBC-UHFFFAOYSA-N

DeepSMILES:
CC=CCCCC6=C))C)C

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

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C=C1C=CCCC1

Scaffold Graph/Node level:
CC1CCCCC1

Scaffold Graph level:
CC1CCCCC1

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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: Apocarotenoids

NP Classifier Class: Apocarotenoids(ε-)

NP-Likeness score: 2.55

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Chemical structure download