Chemical Component Summary

Name(5E)-14-CHLORO-15,17-DIHYDROXY-4,7,8,9,10,11-HEXAHYDRO-2-BENZOXACYCLOPENTADECINE-1,12(3H,13H)-DIONE
Identifiers(6E)-16-chloro-17,19-dihydroxy-3-oxabicyclo[13.4.0]nonadeca-1(19),6,15,17-tetraene-2,13-dione
FormulaC18 H21 Cl O5
Molecular Weight352.809
TypeNON-POLYMER
Isomeric SMILESc1c(c2c(c(c1O)Cl)CC(=O)CCCCC\C=C\CCOC2=O)O
InChIInChI=1S/C18H21ClO5/c19-17-13-10-12(20)8-6-4-2-1-3-5-7-9-24-18(23)16(13)14(21)11-15(17)22/h3,5,11,21-22H,1-2,4,6-10H2/b5-3+
InChIKeyVZTAZMSAAIUZJV-HWKANZROSA-N

Chemical Details

Formal Charge0
Atom Count45
Chiral Atom Count0
Bond Count46
Aromatic Bond Count6

Drug Info: DrugBank

DrugBank IDDB08153 
Name(5E)-14-CHLORO-15,17-DIHYDROXY-4,7,8,9,10,11-HEXAHYDRO-2-BENZOXACYCLOPENTADECINE-1,12(3H,13H)-DIONE
Groups experimental
Synonyms(5E)-14-CHLORO-15,17-DIHYDROXY-4,7,8,9,10,11-HEXAHYDRO-2-BENZOXACYCLOPENTADECINE-1,12(3H,13H)-DIONE

Drug Targets

NameTarget SequencePharmacological ActionActions
Heat shock protein HSP 90-betaMPEEVHHGEEEVETFAFQAEIAQLMSLIINTFYSNKEIFLRELISNASDA...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 11987878