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Substance Name: Deguelin
RN: 522-17-8
UNII: K5Z93K66IE
InChIKey: ORDAZKGHSNRHTD-UXHICEINSA-N

Note

  • A natural product from Mundulea sericea.

Molecular Formula

  • C23-H22-O6

Molecular Weight

  • 394.421
 
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Names and Synonyms

Name of Substance

  • Deguelin

Synonyms

  • CCRIS 8104
  • Deguelin
  • UNII-K5Z93K66IE

Systematic Names

  • 3H-Bis(1)benzopyrano(3,4-b:6',5'-e)pyran-7(7aH)-one, 13,13a-dihydro-9,10-dimethoxy-3,3-dimethyl-, (7aS,13aS)-
  • 3H-Bis(1)benzopyrano(3,4-b:6',5'-e)pyran-7(7aH)-one, 13,13a-dihydro-9,10-dimethoxy-3,3-dimethyl-, (7aS-cis)-

Registry Numbers

CAS Registry Number

  • 522-17-8

FDA UNII

  • K5Z93K66IE

System Generated Number

  • 0000522178

Structure Descriptors

InChI

1S/C23H22O6/c1-23(2)8-7-12-15(29-23)6-5-13-21(24)20-14-9-17(25-3)18(26-4)10-16(14)27-11-19(20)28-22(12)13/h5-10,19-20H,11H2,1-4H3/t19-,20+/m1/s1

InChIKey

ORDAZKGHSNRHTD-UXHICEINSA-N

Smiles

O1c2c(cc(c(c2)OC)OC)[C@H]2[C@@H](C1)Oc1c(ccc3OC(C=Cc13)(C)C)C2=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
guinea pig LDLo oral 1gm/kg (1000mg/kg) BEHAVIORAL: TREMOR

BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD

LUNGS, THORAX, OR RESPIRATION: OTHER CHANGES
Industrial and Engineering Chemistry. Vol. 29, Pg. 429, 1937.
rabbit LD oral > 1500mg/kg (1500mg/kg)   Industrial and Engineering Chemistry. Vol. 29, Pg. 429, 1937.
rat LD oral > 2gm/kg (2000mg/kg)   Industrial and Engineering Chemistry. Vol. 29, Pg. 429, 1937.