Summary

IMPPAT Phytochemical identifier: IMPHY017056

Phytochemical name: 2-Ethyl-3-methylnaphthalene

Synonymous chemical names:
2-ethyl-3-methylnaphthalene

External chemical identifiers:
CID:13070203, SureChEMBL:SCHEMBL7753295

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Chemical structure information

SMILES:
CCc1cc2ccccc2cc1C

InChI:
InChI=1S/C13H14/c1-3-11-9-13-7-5-4-6-12(13)8-10(11)2/h4-9H,3H2,1-2H3

InChIKey:
OKUXCOASJUSADT-UHFFFAOYSA-N

DeepSMILES:
CCcccccccc6cc%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: -0.349

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Chemical structure download