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Substance Name: Tanghinin
RN: 25390-16-3
UNII: 358J7D3ZXI
InChIKey: BTRWTSHCXGFFFL-NNYOWCKQSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C32-H46-O10

Molecular Weight

  • 590.7054
 
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Names and Synonyms

Name of Substance

  • Tanghinin

Synonyms

  • 4-19-00-02798 (Beilstein Handbook Reference)
  • BRN 0073602
  • Tanghinigenin + acetyl-thevetose
  • Tanghinigenin + acetyl-thevetose [German]
  • Tanghinigenin 3-((2-O-acetyl-6-deoxy-3-O-methyl-alpha-L-glucopyranosyl)oxy)
  • Tanghinin
  • UNII-358J7D3ZXI

Systematic Name

  • Card-20(22)-enolide, 3-((2-O-acetyl-6-deoxy-3-O-methyl-alpha-L-glucopyranosyl)oxy)-7,8-epoxy-1,4-hydroxy-, (3-beta,5-beta,7-beta)-

Registry Numbers

CAS Registry Number

  • 25390-16-3

FDA UNII

  • 358J7D3ZXI

System Generated Number

  • 0025390163

Structure Descriptors

InChI

1S/C32H46O10/c1-16-25(35)26(37-5)27(40-17(2)33)28(39-16)41-20-6-9-29(3)19(13-20)14-23-32(42-23)22(29)8-10-30(4)21(7-11-31(30,32)36)18-12-24(34)38-15-18/h12,16,19-23,25-28,35-36H,6-11,13-15H2,1-5H3/t16-,19-,20-,21+,22+,23-,25-,26+,27-,28-,29-,30+,31+,32+/m0/s1

InChIKey

BTRWTSHCXGFFFL-NNYOWCKQSA-N

Smiles

CO[C@@H]1[C@@H](O)[C@H](C)O[C@@H](O[C@H]2CC[C@@]3(C)[C@@H](C2)C[C@@H]4O[C@]45[C@@H]3CC[C@]6(C)[C@H](CC[C@]56O)C7=CC(=O)OC7)[C@H]1OC(=O)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
cat LD50 intravenous 352ug/kg (0.352mg/kg)   Journal of Pharmacology and Experimental Therapeutics. Vol. 111, Pg. 365, 1954.