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Substance Name: Kaempferol 3-O-sophoroside
RN: 19895-95-5
UNII: 3C1196Z645
InChIKey: LKZDFKLGDGSGEO-UJECXLDQSA-N

Note

  • Isolated from leaves of Cassia alata.

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C27-H30-O16

Molecular Weight

  • 610.518
 
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Names and Synonyms

Name of Substance

  • Kaempferol 3-O-sophoroside

Synonyms

  • K3S
  • Kaempferol-3-O-sophoroside
  • Kaempferol-3-sophoroside
  • Sophoraflavonoloside
  • UNII-3C1196Z645

Systematic Names

  • 4H-1-Benzopyran-4-one, 3-((2-O-beta-D-glucopyranosyl-beta-D-glucopyranosyl)oxy)-5,7-dihydroxy-2-(4-hydroxyphenyl)-
  • 4H-1-Benzopyran-4-one, 3-((2-O-beta-D-glucopyranosyl-beta-diglucopyranosyl)oxy)-5,7-dihydroxy-2-(4-hydroxyphenyl)-
  • Flavone, 3,4',5,7-tetrahydroxy-, 3-(2-O-beta-D-glucopyranosyl-beta-glucopyranoside)

Registry Numbers

CAS Registry Number

  • 19895-95-5

FDA UNII

  • 3C1196Z645

System Generated Number

  • 0019895955

Structure Descriptors

InChI

1S/C27H30O16/c28-7-14-17(33)20(36)22(38)26(40-14)43-25-21(37)18(34)15(8-29)41-27(25)42-24-19(35)16-12(32)5-11(31)6-13(16)39-23(24)9-1-3-10(30)4-2-9/h1-6,14-15,17-18,20-22,25-34,36-38H,7-8H2/t14-,15-,17-,18-,20+,21+,22-,25-,26+,27+/m1/s1

InChIKey

LKZDFKLGDGSGEO-UJECXLDQSA-N

Smiles

OC[C@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]2OC3=C(Oc4cc(O)cc(O)c4C3=O)c5ccc(O)cc5)[C@H](O)[C@@H](O)[C@@H]1O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD intraperitoneal > 1gm/kg (1000mg/kg)   Journal of Ethnopharmacology. Vol. 29, Pg. 73, 1990.