Chemical Component Summary

NameTHIOLACTOMYCIN
Synonyms4-HYDROXY-3,5-DIMETHYL-5-(2-METHYL-BUTA-1,3-DIENYL)-5H-THIOPHEN-2-ONE
Identifiers(5R)-4-hydroxy-3,5-dimethyl-5-[(1E)-2-methylbuta-1,3-dienyl]thiophen-2-one
FormulaC11 H14 O2 S
Molecular Weight210.293
TypeNON-POLYMER
Isomeric SMILESCC1=C([C@@](SC1=O)(C)\C=C(/C)\C=C)O
InChIInChI=1S/C11H14O2S/c1-5-7(2)6-11(4)9(12)8(3)10(13)14-11/h5-6,12H,1H2,2-4H3/b7-6+/t11-/m1/s1
InChIKeySYQNUQSGEWNWKV-XUIVZRPNSA-N

Chemical Details

Formal Charge0
Atom Count28
Chiral Atom Count1
Bond Count28
Aromatic Bond Count0

Drug Info: DrugBank

DrugBank IDDB04302 
Name4-Hydroxy-3,5-Dimethyl-5-(2-Methyl-Buta-1,3-Dienyl)-5h-Thiophen-2-One
Groups experimental
Synonyms4-Hydroxy-3,5-Dimethyl-5-(2-Methyl-Buta-1,3-Dienyl)-5h-Thiophen-2-One
CAS number82079-32-1

Drug Targets

NameTarget SequencePharmacological ActionActions
3-oxoacyl-[acyl-carrier-protein] synthase 1MSQPSTANGGFPSVVVTAVTATTSISPDIESTWKGLLAGESGIHALEDEF...unknown
3-oxoacyl-[acyl-carrier-protein] synthase 1MKRAVITGLGIVSSIGNNQQEVLASLREGRSGITFSQELKDSGMRSHVWG...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 CHEMBL399043
PubChem 135403829
ChEMBL CHEMBL399043
CCDC/CSD BIHKIM