Summary

IMPPAT Phytochemical identifier: IMPHY010744

Phytochemical name: Murraxonin

Synonymous chemical names:
murraxonin

Chemical structure information

SMILES:
COc1c(O)oc2c1cc(/C=C/C(=O)C)cc2

InChI:
InChI=1S/C13H12O4/c1-8(14)3-4-9-5-6-11-10(7-9)12(16-2)13(15)17-11/h3-7,15H,1-2H3/b4-3+

InChIKey:
NGLQPPQDBIMYKL-ONEGZZNKSA-N

DeepSMILES:
COccO)occ5cc/C=C/C=O)C))))cc6

Functional groups:
c/C=C/C(C)=O, cO, cOC, coc

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
c1ccc2occc2c1

Scaffold Graph/Node level:
C1CCC2OCCC2C1

Scaffold Graph level:
C1CCC2CCCC2C1

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Phenylpropanoids and polyketides

ClassyFire Class: Cinnamic acids and derivatives

NP Classifier Biosynthetic pathway: Shikimates and Phenylpropanoids

NP-Likeness score: 1.107

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Chemical structure download