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Substance Name: Nimbolide
RN: 25990-37-8
InChIKey: JZIQWNPPBKFOPT-CEGILMFESA-N

Note

  • Isolated from Nigerian medicinal plant Azadirachta indica.

Classification Code

  • Natural Product

Molecular Formula

  • C27-H30-O7

Molecular Weight

  • 466.527
 
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Names and Synonyms

Name of Substance

  • Nimbolide

Synonyms

  • 7,15:21,23-Diepoxy-6-hydroxy-4,8-dimethyl-1-oxo-18,24-dinor-11,12-secochola-2,13,20,22-tetraene-4,11-dicarboxylic acid gamma-lactone, methyl ester, (4alpha,5alpha,6alpha,7alpha,15beta,17alpha)-
  • CCRIS 5723
  • Nimbolide
  • NSC 309909

Systematic Names

  • 18,24-Dinor-11,12-secochola-2,13,20,22-tetraene-4,11-dicarboxylic acid, 7,15:21,23-diepoxy-6-hydroxy-4,8-dimethyl-1-oxo-, gamma-lactone, methyl ester, (4alpha,5alpha,6alpha,7alpha,15beta,17alpha)-
  • 2H,5H-Cyclopenta(d')naphtho(1,8-bc:2,3-b')difuran-6-acetic acid, 8-alpha-(3-furyl)-2a,5a,6,6a,8,9,9a,10a,10c-decahydro-2a,5a,6a,7-tetramethyl-2,5-dioxo-, methyl ester
  • Nimbolide

Registry Numbers

CAS Registry Number

  • 25990-37-8

System Generated Number

  • 0025990378

Structure Descriptors

InChI

1S/C27H30O7/c1-13-15(14-7-9-32-12-14)10-16-20(13)27(4)17(11-19(29)31-5)26(3)18(28)6-8-25(2)22(26)21(23(27)33-16)34-24(25)30/h6-9,12,15-17,21-23H,10-11H2,1-5H3/t15?,16-,17+,21+,22-,23+,25+,26-,27+/m0/s1

InChIKey

JZIQWNPPBKFOPT-CEGILMFESA-N

Smiles

CC1=C2[C@H](CC1c3ccoc3)O[C@H]4[C@@]2([C@@H]([C@@]5([C@H]6[C@H]4OC(=O)[C@@]6(C=CC5=O)C)C)CC(=O)OC)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
hamster LD50 intraperitoneal > 500mg/kg (500mg/kg)   Toxicology Letters. Vol. 30, Pg. 159, 1986.
mouse LD50 intramuscular > 600mg/kg (600mg/kg)   Toxicology Letters. Vol. 30, Pg. 159, 1986.
mouse LD50 intraperitoneal 225mg/kg (225mg/kg)   Toxicology Letters. Vol. 30, Pg. 159, 1986.
mouse LD50 intravenous 24mg/kg (24mg/kg)   Toxicology Letters. Vol. 30, Pg. 159, 1986.
mouse LD50 oral > 600mg/kg (600mg/kg)   Toxicology Letters. Vol. 30, Pg. 159, 1986.
mouse LD50 subcutaneous > 600mg/kg (600mg/kg)   Toxicology Letters. Vol. 30, Pg. 159, 1986.
rat LD50 intraperitoneal > 600mg/kg (600mg/kg)   Toxicology Letters. Vol. 30, Pg. 159, 1986.
rat LD50 oral > 600mg/kg (600mg/kg)   Toxicology Letters. Vol. 30, Pg. 159, 1986.