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Substance Name: Esculentoside A
RN: 65497-07-6
InChIKey: YRHWKFMGEDDGIJ-UHFFFAOYSA-N

Note

  • Potent inhibitor of PAF synthesis in rat peritoneal macrophages.

Classification Codes

  • Drug / Therapeutic Agent
  • Natural Product

Molecular Formula

  • C42-H66-O16

Molecular Weight

  • 826.967
 
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Names and Synonyms

Name of Substance

  • Esculentoside A

Synonyms

  • Phytolaccasaponin E
  • Phytolaccoside E

Systematic Names

  • Olean-12-ene-28,29-dioic acid, 2,23-dihydroxy-3-((4-O-beta-D-glucopyranosyl-beta-D-xylopyranosyl)oxy)-, 29-methyl ester, (2-beta,3-beta,4-alpha,20-beta)-
  • Olean-12-ene-28,29-dioic acid, 3-((4-O-beta-D-glucopyranosyl-beta-D-xylopyranosyl)oxy)-2,23-dihydroxy-, 29-methyl ester, (2beta,3beta,4alpha,20beta)-

Registry Numbers

CAS Registry Number

  • 65497-07-6

System Generated Number

  • 0065497076

Structure Descriptors

InChI

1S/C42H66O16/c1-37(36(53)54-6)11-13-42(35(51)52)14-12-40(4)20(21(42)15-37)7-8-26-38(2)16-22(45)32(39(3,19-44)25(38)9-10-41(26,40)5)56-24-18-55-33(30(49)28(24)47)58-34-31(50)29(48)27(46)23(17-43)57-34/h7,21-34,43-50H,8-19H2,1-6H3,(H,51,52)

InChIKey

YRHWKFMGEDDGIJ-UHFFFAOYSA-N

Smiles

C1[C@@](C[C@@H]2C=3[C@@](CC[C@@]2(C1)C(=O)O)(C)[C@@]1([C@@H]([C@@]2([C@@H](CC1)[C@@](C)(CO)[C@@H]([C@@H](C2)O)O[C@@H]1[C@@H]([C@@H]([C@@H](OC1)O[C@@H]1O[C@@H]([C@@H]([C@@H]([C@@H]1O)O)O)CO)O)O)C)CC3)C)(C)C(=O)OC

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 486mg/kg (486mg/kg) SKIN AND APPENDAGES (SKIN): HAIR: OTHER

BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)
Shoyakugaku Zasshi. Journal of Pharmacognosy. Vol. 33, Pg. 111, 1979.
mouse LD50 intravenous 23600ug/kg (23.6mg/kg) LUNGS, THORAX, OR RESPIRATION: RESPIRATORY DEPRESSION

BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)
Saengyak Hakhoechi. Journal of the Society of Pharmacognosy. Vol. 10, Pg. 73, 1979.
mouse LD50 oral 1200mg/kg (1200mg/kg) SKIN AND APPENDAGES (SKIN): HAIR: OTHER

BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)
Shoyakugaku Zasshi. Journal of Pharmacognosy. Vol. 33, Pg. 111, 1979.
rat LD50 intravenous 42300ug/kg (42.3mg/kg) LUNGS, THORAX, OR RESPIRATION: RESPIRATORY DEPRESSION

BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)
Saengyak Hakhoechi. Journal of the Society of Pharmacognosy. Vol. 10, Pg. 73, 1979.