Summary

IMPPAT Phytochemical identifier: IMPHY016143

Phytochemical name: 1-Methoxynaphthalene

Synonymous chemical names:
1-methoxynaphthalene

External chemical identifiers:
CID:16668, ZINC:ZINC000001686999, FDASRS:DG2EOL57LF, SureChEMBL:SCHEMBL151449, MolPort-003-926-806

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Chemical structure information

SMILES:
COc1cccc2c1cccc2

InChI:
InChI=1S/C11H10O/c1-12-11-8-4-6-9-5-2-3-7-10(9)11/h2-8H,1H3

InChIKey:
NQMUGNMMFTYOHK-UHFFFAOYSA-N

DeepSMILES:
COcccccc6cccc6

Functional groups:
cOC

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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: Polyketides, Shikimates and Phenylpropanoids

NP Classifier Superclass: Naphthalenes

NP Classifier Class: Naphthalenes and derivatives

NP-Likeness score: -0.358

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Chemical structure download