Chemical Component Summary

Name(2S)-5-hydroxy-2-(4-hydroxyphenyl)-7-methoxy-2,3-dihydro-4H-chromen-4-one
Synonymssakuranetin
Identifiers(2S)-5-hydroxy-2-(4-hydroxyphenyl)-7-methoxy-chroman-4-one
FormulaC16 H14 O5
Molecular Weight286.279
TypeNON-POLYMER
Isomeric SMILESCOc1cc(c2c(c1)O[C@@H](CC2=O)c3ccc(cc3)O)O
InChIInChI=1S/C16H14O5/c1-20-11-6-12(18)16-13(19)8-14(21-15(16)7-11)9-2-4-10(17)5-3-9/h2-7,14,17-18H,8H2,1H3/t14-/m0/s1
InChIKeyDJOJDHGQRNZXQQ-AWEZNQCLSA-N

Chemical Details

Formal Charge0
Atom Count35
Chiral Atom Count1
Bond Count37
Aromatic Bond Count12

Drug Info: DrugBank

DrugBank IDDB08517 
NameSakuranetin
Groups experimental
Synonyms
  • (S)-(−)-4',5-dihydroxy-7-methoxyflavanone
  • 5,4'-Dihydroxy-7-methoxyflavanone
  • 5-hydroxy-2-(4-hydroxyphenyl)-7-methoxy-chroman-4-one
  • (2S)-sakuranetin
  • 4',5-dihydroxy-7-methoxyflavanone
Categories
  • Benzopyrans
  • Biological Factors
  • Chromones
  • Heterocyclic Compounds, Fused-Ring
  • Pyrans
CAS number2957-21-3

Drug Targets

NameTarget SequencePharmacological ActionActions
3-hydroxyacyl-[acyl-carrier-protein] dehydratase FabZMEQSHQNLQSQFFIEHILQILPHRYPMLLVDRITELQANQKIVAYKNITF...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 73571
ChEMBL CHEMBL448297
ChEBI CHEBI:28927
CCDC/CSD JESGET01, JESGET, SAFSOJ
COD 2233222