Summary

IMPPAT Phytochemical identifier: IMPHY016301

Phytochemical name: 2,3-Dimethylnaphthalene

Synonymous chemical names:
2,3-dimethylnaphthalene

External chemical identifiers:
CID:11386, ChEMBL:CHEMBL1797262, ChEBI:48615, ZINC:ZINC000001669603, FDASRS:35DJ6SE17O, SureChEMBL:SCHEMBL234439, MolPort-001-816-249

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Chemical structure information

SMILES:
Cc1cc2ccccc2cc1C

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

InChIKey:
WWGUMAYGTYQSGA-UHFFFAOYSA-N

DeepSMILES:
Ccccccccc6cc%10C

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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: -0.351

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Chemical structure download