Summary

IMPPAT Phytochemical identifier: IMPHY016167

Phytochemical name: 1,5,8-Trimethyl-1,2,3,4-tetrahydronaphthalene

Synonymous chemical names:
1,2,3,4-tetrahydro-1,5,8-trimethylnaphthalene

External chemical identifiers:
CID:30755, FDASRS:9IUN61E4YV

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Chemical structure information

SMILES:
CC1CCCc2c1c(C)ccc2C

InChI:
InChI=1S/C13H18/c1-9-7-8-11(3)13-10(2)5-4-6-12(9)13/h7-8,10H,4-6H2,1-3H3

InChIKey:
OIIJXQMSEYQDDI-UHFFFAOYSA-N

DeepSMILES:
CCCCCcc6cC)ccc6C

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
c1ccc2c(c1)CCCC2

Scaffold Graph/Node level:
C1CCC2CCCCC2C1

Scaffold Graph level:
C1CCC2CCCCC2C1

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Benzenoids

ClassyFire Class: Tetralins

NP Classifier Biosynthetic pathway: Terpenoids

NP Classifier Superclass: Sesquiterpenoids

NP Classifier Class: Cadinane sesquiterpenoids

NP-Likeness score: 0.481

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Chemical structure download