Summary

IMPPAT Phytochemical identifier: IMPHY000006

Phytochemical name: 1,6-Dimethylnaphthalene

Synonymous chemical names:
1,6-dimethylnaphthalene, 1,6-dimethylnapthalene

External chemical identifiers:
CID:11328, ChEMBL:CHEMBL363803, ChEBI:34065, ZINC:ZINC000001684247, FDASRS:DXN13WI5EY, SureChEMBL:SCHEMBL599599, MolPort-003-928-571

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Chemical structure information

SMILES:
Cc1ccc2c(c1)cccc2C

InChI:
InChI=1S/C12H12/c1-9-6-7-12-10(2)4-3-5-11(12)8-9/h3-8H,1-2H3

InChIKey:
CBMXCNPQDUJNHT-UHFFFAOYSA-N

DeepSMILES:
Ccccccc6)cccc6C

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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: Shikimates and Phenylpropanoids

NP Classifier Superclass: Phenanthrenoids

NP Classifier Class: Phenanthrenes

NP-Likeness score: -0.423

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Chemical structure download