Summary

IMPPAT Phytochemical identifier: IMPHY007397

Phytochemical name: 3-(2,5-Dimethoxyphenyl)-1-propene

Synonymous chemical names:
1,4-dimethoxy-2-allylbenzene, 2-allyl-1,4-dimethoxybenzene

External chemical identifiers:
CID:92534, ChEMBL:CHEMBL2271177, ChEBI:167412, ZINC:ZINC000006017998, SureChEMBL:SCHEMBL2848289

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Chemical structure information

SMILES:
C=CCc1cc(OC)ccc1OC

InChI:
InChI=1S/C11H14O2/c1-4-5-9-8-10(12-2)6-7-11(9)13-3/h4,6-8H,1,5H2,2-3H3

InChIKey:
FRYMRMPLKQWKEP-UHFFFAOYSA-N

DeepSMILES:
C=CCcccOC))ccc6OC

Functional groups:
C=CC, 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: 0.173

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Chemical structure download