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Substance Name: Calophyllolid
RN: 548-27-6
InChIKey: PMBLOLOJQZPEND-GIDUJCDVSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C26-H24-O5

Molecular Weight

  • 416.471
 
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Names and Synonyms

Name of Substance

  • Calophyllolid

Synonyms

  • 5-19-06-00471 (Beilstein Handbook Reference)
  • BRN 0061648
  • Calophyllolid
  • Calophyllolide

Systematic Names

  • 2H,8H-Benzo(1,2-b,3,4-b')dipyran-8-one, 5-methoxy-2,2-dimethyl-6-(2-methylcrotonoyl)-10-phenyl-, (E)-
  • 5-Methoxy-2,2-dimethyl-6-(2-methyl-1-oxo-2-butenyl)-10-phenyl-2H,8H-benzo(1,2-B':3,4-B')-dipyran-8-one

Registry Numbers

CAS Registry Number

  • 548-27-6

System Generated Number

  • 0000548276

Structure Descriptors

InChI

1S/C26H24O5/c1-6-15(2)22(28)21-23(29-5)17-12-13-26(3,4)31-24(17)20-18(14-19(27)30-25(20)21)16-10-8-7-9-11-16/h6-14H,1-5H3/b15-6+

InChIKey

PMBLOLOJQZPEND-GIDUJCDVSA-N

Smiles

c1(c2C=CC(C)(C)Oc2c2c(oc(cc2c2ccccc2)=O)c1C(\C(C)=C\C)=O)OC

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 2500mg/kg (2500mg/kg)   Drugs of the Future. Vol. 6, Pg. 271, 1981.