Summary

IMPPAT Phytochemical identifier: IMPHY016146

Phytochemical name: 1-Methylnaphthalene

Synonymous chemical names:
1-methylnaphthalene

External chemical identifiers:
CID:7002, ChEMBL:CHEMBL383808, ChEBI:50717, ZINC:ZINC000001666852, FDASRS:E7SK1Y1311, SureChEMBL:SCHEMBL3075, MolPort-003-932-994

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Chemical structure information

SMILES:
Cc1cccc2c1cccc2

InChI:
InChI=1S/C11H10/c1-9-5-4-7-10-6-2-3-8-11(9)10/h2-8H,1H3

InChIKey:
QPUYECUOLPXSFR-UHFFFAOYSA-N

DeepSMILES:
Ccccccc6cccc6

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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: -0.33

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Chemical structure download