Summary

IMPPAT Phytochemical identifier: IMPHY000009

Phytochemical name: 1,5-Dimethylnaphthalene

Synonymous chemical names:
1,5-dimethyl-naphthalene

External chemical identifiers:
CID:11306, ChEMBL:CHEMBL435106, ChEBI:48608, ZINC:ZINC000001689598, FDASRS:60CM3233U9, SureChEMBL:SCHEMBL424167, MolPort-003-928-587

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Chemical structure information

SMILES:
Cc1cccc2c1cccc2C

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

InChIKey:
SDDBCEWUYXVGCQ-UHFFFAOYSA-N

DeepSMILES:
Ccccccc6cccc6C

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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-Likeness score: -0.212

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Chemical structure download