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Substance Name: Thymeleatoxin
RN: 94482-56-1
InChIKey: OTTFLYUONKAFGT-WOYWLKGSSA-N

Note

  • Causes translocation & down-regulation of multiple protein kinase C isozymes.

Molecular Formula

  • C36-H36-O10

Molecular Weight

  • 628.67
 
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Names and Synonyms

Name of Substance

  • Thymeleatoxin

Systematic Names

  • 2-Propenoic acid, 3-phenyl-, (2S,3aR,3bS,3cS,4aR,5S,5aS,8aR,8bS,9R,10R,10aS)-3a,3b,3c,4a,5,5a,8a,9,10,10a-decahydro-5,5a-dihydroxy-4a-(hydroxymethyl)-7,9-dimethyl-10a-(1-methylethenyl)-6-oxo-2-phenyl-6H-2,8b-epoxyoxireno(6,7)azuleno(5,4-e)-1,3-benzodioxol-10-yl ester
  • Daphnetoxin, 12-((1-oxo-3-phenyl-2-propenyl)oxy)-, (12beta)-

Registry Numbers

CAS Registry Number

  • 94482-56-1

System Generated Number

  • 0094482561

Structure Descriptors

InChI

1S/C36H36O10/c1-19(2)34-28(42-25(38)16-15-22-11-7-5-8-12-22)21(4)35-24-17-20(3)27(39)33(24,41)31(40)32(18-37)29(43-32)26(35)30(34)44-36(45-34,46-35)23-13-9-6-10-14-23/h5-17,21,24,26,28-31,37,40-41H,1,18H2,2-4H3/b16-15+/t21-,24-,26+,28-,29+,30-,31-,32+,33-,34+,35-,36?/m1/s1

InChIKey

OTTFLYUONKAFGT-WOYWLKGSSA-N

Smiles

O1[C@@]2(c3ccccc3)O[C@@]34[C@H]([C@@H]5O[C@@]5([C@H]([C@@]5(O)C(=O)C(C)=C[C@@H]35)O)CO)[C@@H]1[C@@]([C@@H]([C@H]4C)OC(\C=C\c1ccccc1)=O)(C(C)=C)O2