Summary

IMPPAT Phytochemical identifier: IMPHY012171

Phytochemical name: 1,2-Dihydro-1,5,8-trimethylnaphthalene

Synonymous chemical names:
1,2-dihydro-1,5,8-trimethyl-naphthalene, naphthalene, 1,2-dihydro-1,5,8- trimethyl-

External chemical identifiers:
CID:20595, FDASRS:Y6D44B0088, SureChEMBL:SCHEMBL5576599

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Chemical structure information

SMILES:
CC1CC=Cc2c1c(C)ccc2C

InChI:
InChI=1S/C13H16/c1-9-7-8-11(3)13-10(2)5-4-6-12(9)13/h4,6-8,10H,5H2,1-3H3

InChIKey:
YJFOZRTWRVNHOG-UHFFFAOYSA-N

DeepSMILES:
CCCC=Ccc6cC)ccc6C

Functional groups:
cC=CC

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C1=Cc2ccccc2CC1

Scaffold Graph/Node level:
C1CCC2CCCCC2C1

Scaffold Graph level:
C1CCC2CCCCC2C1

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Benzenoids

ClassyFire Class: Naphthalenes

NP Classifier Biosynthetic pathway: Terpenoids

NP Classifier Superclass: Sesquiterpenoids

NP Classifier Class: Cadinane sesquiterpenoids

NP-Likeness score: 1.368

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Chemical structure download