Summary

IMPPAT Phytochemical identifier: IMPHY013118

Phytochemical name: 1,8-Dimethoxy-3-methylnaphthalene

Synonymous chemical names:
1,8-di-meo-3-me-naphthalene

External chemical identifiers:
CID:13661032

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Chemical structure information

SMILES:
COc1cc(C)cc2c1c(OC)ccc2

InChI:
InChI=1S/C13H14O2/c1-9-7-10-5-4-6-11(14-2)13(10)12(8-9)15-3/h4-8H,1-3H3

InChIKey:
IWJMQSHUZODASR-UHFFFAOYSA-N

DeepSMILES:
COcccC)ccc6cOC))ccc6

Functional groups:
cOC

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
c1ccc2ccccc2c1

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: Polyketides

NP Classifier Superclass: Naphthalenes

NP Classifier Class: Naphthalenes and derivatives

NP-Likeness score: 0.056

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Chemical structure download