Summary

IMPPAT Phytochemical identifier: IMPHY016477

Phytochemical name: 6,7-Dimethyl-1,2,3,5,8,8a-hexahydronaphthalene

Synonymous chemical names:
6,7-dimethyl-1,2,3,5,8,8a-hexahydronaphthalene

External chemical identifiers:
CID:570683

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Chemical structure information

SMILES:
CC1=C(C)CC2C(=CCCC2)C1

InChI:
InChI=1S/C12H18/c1-9-7-11-5-3-4-6-12(11)8-10(9)2/h5,12H,3-4,6-8H2,1-2H3

InChIKey:
JYPYONFSJRKPQY-UHFFFAOYSA-N

DeepSMILES:
CC=CC)CCC=CCCC6))))C6

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

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C1=CCC2CCCC=C2C1

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: 0.747

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Chemical structure download