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Substance Name: Dioscoretine
RN: 128637-87-6
InChIKey: YWVYEZNFPRWGMM-RUPPFBPSSA-N

Note

  • Isolated from Dioscorea dumetorum.

Classification Codes

  • Drug / Therapeutic Agent
  • Natural Product

Molecular Formula

  • C13-H23-N-O3

Molecular Weight

  • 241.329
 
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Names and Synonyms

Name of Substance

  • Dioscoretine

Synonyms

  • Dioscoretin
  • Dioscoretine

Systematic Names

  • 2-Azabicyclo(2.2.2)octane-5-butanoic acid, 5-hydroxy-beta,2-dimethyl-, (1R-(1alpha,4alpha,5alpha,5(S*)))-
  • 2-Azabicyclo(2.2.2)octane-5-butanoic acid, beta,2-dimethyl-5-hydroxy-, (1R-(1-alpha,4-alpha,5-alpha,5(S*)))-

Registry Numbers

CAS Registry Number

  • 128637-87-6

System Generated Number

  • 0128637876

Structure Descriptors

InChI

1S/C13H23NO3/c1-9(5-12(15)16)6-13(17)7-11-4-3-10(13)8-14(11)2/h9-11,17H,3-8H2,1-2H3,(H,15,16)/t9-,10-,11-,13?/m1/s1

InChIKey

YWVYEZNFPRWGMM-RUPPFBPSSA-N

Smiles

C1[C@@H]2[C@@](C[C@H]([N@@]1C)CC2)(O)C[C@@H](CC(O)=O)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 580mg/kg (580mg/kg)   Planta Medica. Vol. 56, Pg. 264, 1990.