Summary

IMPPAT Phytochemical identifier: IMPHY015314

Phytochemical name: 3,4-Dimethoxystyrene

Synonymous chemical names:
3,4-dimethoxystyrene

External chemical identifiers:
CID:61400, ZINC:ZINC000000388339, FDASRS:50PLH4M73W, SureChEMBL:SCHEMBL33786, MolPort-003-926-801

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Chemical structure information

SMILES:
COc1cc(C=C)ccc1OC

InChI:
InChI=1S/C10H12O2/c1-4-8-5-6-9(11-2)10(7-8)12-3/h4-7H,1H2,2-3H3

InChIKey:
NJXYTXADXSRFTJ-UHFFFAOYSA-N

DeepSMILES:
COcccC=C))ccc6OC

Functional groups:
cC=C, cOC

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
c1ccccc1

Scaffold Graph/Node level:
C1CCCCC1

Scaffold Graph level:
C1CCCCC1

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Benzenoids

ClassyFire Class: Benzene and substituted derivatives

ClassyFire Subclass: Methoxybenzenes

NP Classifier Biosynthetic pathway: Shikimates and Phenylpropanoids

NP Classifier Superclass: Phenylpropanoids (C6-C3)

NP Classifier Class: Cinnamic acids and derivatives

NP-Likeness score: 0.291

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Chemical structure download