Summary

IMPPAT Phytochemical identifier: IMPHY017062

Phytochemical name: 2-Vinylnaphthalene

Synonymous chemical names:
β-vinylnaphthalene

External chemical identifiers:
CID:13230, ChEBI:51325, ZINC:ZINC000001725142, FDASRS:HZD8LI91N1, SureChEMBL:SCHEMBL19279518, MolPort-001-770-625

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Chemical structure information

SMILES:
C=Cc1ccc2c(c1)cccc2

InChI:
InChI=1S/C12H10/c1-2-10-7-8-11-5-3-4-6-12(11)9-10/h2-9H,1H2

InChIKey:
KXYAVSFOJVUIHT-UHFFFAOYSA-N

DeepSMILES:
C=Ccccccc6)cccc6

Functional groups:
cC=C

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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: 0.12

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Chemical structure download