MYF

5,7-DIHYDROXY-2-(3,4,5-TRIHYDROXYPHENYL)-4H-CHROMEN-4-ONE

Created:2006-12-22
Last modified:  2020-06-05

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Chemical Details

Formal Charge0
Atom Count32
Chiral Atom Count0
Bond Count34
Aromatic Bond Count18
2D diagram of MYF

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Chemical Component Summary

Name5,7-DIHYDROXY-2-(3,4,5-TRIHYDROXYPHENYL)-4H-CHROMEN-4-ONE
Synonyms2-(3,4,5-TRIHYDROXYPHENYL)-5,7-DIHYDROXY-4H-1-BENZOPYRAN-4-ONE; PENTAHYDROXYFLAVONE
Systematic Name (OpenEye OEToolkits)5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)chromen-4-one
FormulaC15 H10 O7
Molecular Weight302.236
TypeNON-POLYMER

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04O=C1c3c(OC(=C1)c2cc(O)c(O)c(O)c2)cc(O)cc3O
SMILESCACTVS3.341Oc1cc(O)c2C(=O)C=C(Oc2c1)c3cc(O)c(O)c(O)c3
SMILESOpenEye OEToolkits1.5.0c1c(cc(c(c1O)O)O)C2=CC(=O)c3c(cc(cc3O2)O)O
Canonical SMILESCACTVS3.341 Oc1cc(O)c2C(=O)C=C(Oc2c1)c3cc(O)c(O)c(O)c3
Canonical SMILESOpenEye OEToolkits1.5.0 c1c(cc(c(c1O)O)O)C2=CC(=O)c3c(cc(cc3O2)O)O
InChIInChI1.03 InChI=1S/C15H10O7/c16-7-3-8(17)14-9(18)5-12(22-13(14)4-7)6-1-10(19)15(21)11(20)2-6/h1-5,16-17,19-21H
InChIKeyInChI1.03 ARSRJFRKVXALTF-UHFFFAOYSA-N

Drug Info: DrugBank

DrugBank data are sourced from datasets licensed under a Creative Common's Attribution-NonCommercial 4.0 International License
DrugBank IDDB08230 
NameTricetin
Groups experimental
Synonyms
  • 5,7,3',4',5'-Pentahydroxyflavone
  • 3',4',5,5',7-pentahydroxyflavone
  • Tricetin
  • Tricetinidin
Categories
  • Antioxidants
  • Benzopyrans
  • Biological Factors
  • Carbohydrates
  • Chromones
CAS number520-31-0

Drug Targets

DrugBank data are sourced from datasets licensed under a Creative Common's Attribution-NonCommercial 4.0 International License
NameTarget SequencePharmacological ActionActions
Serine/threonine-protein kinase pim-1MLLSKINSLAHLRAAPCNDLHATKLAPGKEKEPLESQYQVGPLLGSGGFG...unknown
Drug Info/Drug Targets: DrugBank 3.0: a comprehensive resource for 'omics' research on drugs. Knox C, Law V, Jewison T, Liu P, Ly S, Frolkis A, Pon A, Banco K, Mak C, Neveu V, Djoumbou Y, Eisner R, Guo AC, Wishart DS. Nucleic Acids Res. 2011 Jan; 39 (Database issue):D1035-41. | PMID:21059682

Related Resource References

Resource NameReference
PubChem 5281701
ChEMBL CHEMBL247484
ChEBI CHEBI:507499