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Substance Name: Mezerein
RN: 34807-41-5
InChIKey: DLEDLHFNQDHEOJ-CSWXFLMBSA-N

Note

  • Toxic component of plant Daphne mezereum with anti-leukemic activity against P-388 & P-1210 in mice; can act as a tumor promoter.

Molecular Formula

  • C38-H38-O10

Molecular Weight

  • 654.708
 

Classification Codes

  • Antineoplastic Agents
  • Antineoplastic Agents, Phytogenic
  • Carcinogens
  • Mutation Data
  • Noxae
  • Tumor Data
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Names and Synonyms

Name of Substance

  • Mezerein

Synonyms

  • BRN 1675867
  • CCRIS 4674
  • Daphnetoxin, 12-((1-oxo-5-phenyl-2,4-pentadienyl)oxy)-, (12beta(E,E))-
  • Meserein
  • Mezerein
  • NSC 239072

Systematic Names

  • 2,4-Pentadienoic acid, 5-phenyl-, (2S,3aR,3bS,3cS,4aR,5S,5aS,8aR,8bR,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)azulene(5,4-e)-1,3-benzodioxol-10-yl ester, (2E,4E)-
  • Daphnetoxin, 12-((1-oxo-5-phenyl-2,4-pentadienyl)oxy)-, (12-beta(E,E))-
  • Mezerein

Registry Numbers

CAS Registry Number

  • 34807-41-5

System Generated Number

  • 0034807415

Structure Descriptors

InChI

1S/C38H38O10/c1-21(2)36-30(44-27(40)18-12-11-15-24-13-7-5-8-14-24)23(4)37-26-19-22(3)29(41)35(26,43)33(42)34(20-39)31(45-34)28(37)32(36)46-38(47-36,48-37)25-16-9-6-10-17-25/h5-19,23,26,28,30-33,39,42-43H,1,20H2,2-4H3/b15-11+,18-12+/t23-,26-,28+,30-,31+,32-,33-,34?,35-,36+,37+,38?/m1/s1

InChIKey

DLEDLHFNQDHEOJ-CSWXFLMBSA-N

Smiles

C1(C)=C[C@H]2[C@@]34[C@H](C)[C@H]([C@@]5([C@@H](O[C@@](c6ccccc6)(O5)O4)[C@@H]3[C@H]3[C@@]([C@H]([C@@]2(C1=O)O)O)(O3)CO)C(C)=C)OC(\C=C\C=C\c1ccccc1)=O