DFL

2-(4-HYDROXY-PHENYL)-CHROMAN-4-ONE

Created: 2001-06-28
Last modified:  2020-06-05

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Chemical Details

Formal Charge0
Atom Count30
Chiral Atom Count1
Bond Count32
Aromatic Bond Count12
2D diagram of DFL
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Chemical Component Summary

Name2-(4-HYDROXY-PHENYL)-CHROMAN-4-ONE
Synonyms4'-HYDROXYFLAVANONE
Systematic Name (OpenEye OEToolkits)(2S)-2-(4-hydroxyphenyl)chroman-4-one
FormulaC15 H12 O3
Molecular Weight240.254
TypeNON-POLYMER

Chemical Descriptors

TypeProgram Version Descriptor
SMILESACDLabs10.04O=C2c3c(OC(c1ccc(O)cc1)C2)cccc3
SMILESCACTVS3.341Oc1ccc(cc1)[CH]2CC(=O)c3ccccc3O2
SMILESOpenEye OEToolkits1.5.0c1ccc2c(c1)C(=O)CC(O2)c3ccc(cc3)O
Canonical SMILESCACTVS3.341 Oc1ccc(cc1)[C@@H]2CC(=O)c3ccccc3O2
Canonical SMILESOpenEye OEToolkits1.5.0 c1ccc2c(c1)C(=O)C[C@H](O2)c3ccc(cc3)O
InChIInChI1.03 InChI=1S/C15H12O3/c16-11-7-5-10(6-8-11)15-9-13(17)12-3-1-2-4-14(12)18-15/h1-8,15-16H,9H2/t15-/m0/s1
InChIKeyInChI1.03 ZLHVIYHWWQYJID-HNNXBMFYSA-N

Drug Info: DrugBank

DrugBank IDDB04429 
Name4'-Hydroxyflavanone
Groups experimental
Synonyms4'-Hydroxyflavanone
Categories
  • Benzopyrans
  • Chromones
  • Flavonoids
  • Heterocyclic Compounds, Fused-Ring
  • Pyrans

Drug Targets

NameTarget SequencePharmacological ActionActions
Sex hormone-binding globulinMESRGPLATSRLLLLLLLLLLRHTRQGWALRPVLPTQSAHDPPAVHLSNG...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 688859
ChEBI CHEBI:41965