4MU

7-hydroxy-4-methyl-2H-chromen-2-one

Created: 2008-11-06
Last modified:  2021-03-01

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Chemical Details

Formal Charge0
Atom Count21
Chiral Atom Count0
Bond Count22
Aromatic Bond Count6
2D diagram of 4MU
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Chemical Component Summary

Name7-hydroxy-4-methyl-2H-chromen-2-one
Synonyms4-methylumbelliferone
Systematic Name (OpenEye OEToolkits)7-hydroxy-4-methyl-chromen-2-one
FormulaC10 H8 O3
Molecular Weight176.169
TypeNON-POLYMER

Chemical Descriptors

TypeProgram Version Descriptor
SMILESACDLabs10.04O=C2Oc1cc(O)ccc1C(=C2)C
SMILESCACTVS3.341CC1=CC(=O)Oc2cc(O)ccc12
SMILESOpenEye OEToolkits1.5.0CC1=CC(=O)Oc2c1ccc(c2)O
Canonical SMILESCACTVS3.341 CC1=CC(=O)Oc2cc(O)ccc12
Canonical SMILESOpenEye OEToolkits1.5.0 CC1=CC(=O)Oc2c1ccc(c2)O
InChIInChI1.03 InChI=1S/C10H8O3/c1-6-4-10(12)13-9-5-7(11)2-3-8(6)9/h2-5,11H,1H3
InChIKeyInChI1.03 HSHNITRMYYLLCV-UHFFFAOYSA-N

Drug Info: DrugBank

DrugBank IDDB07118 
NameHymecromone
Groups
  • experimental
  • investigational
Synonyms
  • himecromona
  • 4-methylumbelliferone
  • Hymecromone
Categories
  • Alimentary Tract and Metabolism
  • Benzopyrans
  • Bile and Liver Therapy
  • Bile Therapy
  • Compounds used in a research, industrial, or household setting
ATC-CodeA05AX02
CAS number90-33-5

Drug Targets

NameTarget SequencePharmacological ActionActions
Arylsulfate sulfotransferaseMFDKYRKTLVAGTVAITLGLSASGVMAAGFKPAPPAGQLGAVIVDPYGNA...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
Pharos CHEMBL12208
PubChem 5280567
ChEMBL CHEMBL12208
ChEBI CHEBI:17224
CCDC/CSD MUMBEL01, MUMBEL03, MUMBEL02, WIKDAV, WIKDAV02, WIKDAV01, MUMBEL04, MUMBEL
COD 2216431, 2010291, 2214588