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Substance Name: Anthraniloyllycoctonine
RN: 22413-78-1
InChIKey: NNDHDYDFEDRMGH-NZWBZCBHSA-N

Classification Code

  • Natural Product

Molecular Formula

  • C32-H46-N2-O8

Molecular Weight

  • 586.721
 
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Names and Synonyms

Results Name

  • Anthraniloyllycoctonine

Synonyms

  • (+)-Anthranoyllycoctonine
  • 4-21-00-02879 (Beilstein Handbook Reference)
  • Anthraniloyllycoctonine
  • Anthranoyllycoctonine
  • BRN 0072684
  • Inuline
  • Monoanthraniloyllycoctonine
  • O(sup 14)-Methyldelectine
  • O14-Methyldelectine
  • Swatinine B

Systematic Names

  • Aconitane-7,8-diol, 4-(((2-aminobenzoyl)oxy)methyl)-20-ethyl-1,6,14,16-tetramethoxy-, (1-alpha,6-beta,14-alpha,16-beta)-
  • Lycoctonine, anthraniloyl- (6CI,7CI)
  • Lycoctonine, monoanthranilate (ester) (8CI)

Registry Numbers

CAS Registry Number

  • 22413-78-1

System Generated Number

  • 0022413781

Structure Descriptors

InChI

1S/C32H46N2O8/c1-6-34-15-29(16-42-27(35)17-9-7-8-10-20(17)33)12-11-22(39-3)31-19-13-18-21(38-2)14-30(36,23(19)24(18)40-4)32(37,28(31)34)26(41-5)25(29)31/h7-10,18-19,21-26,28,36-37H,6,11-16,33H2,1-5H3/t18-,19-,21+,22+,23-,24+,25-,26+,28?,29+,30-,31?,32?/m1/s1

InChIKey

NNDHDYDFEDRMGH-NZWBZCBHSA-N

Smiles

C([C@]12C[N@@]([C@@H]3[C@@]4([C@@H]1[C@@H]([C@@]3([C@]1(O)[C@@H]3[C@@H]4C[C@@H]([C@H](OC)C1)[C@@H]3OC)O)OC)[C@H](CC2)OC)CC)OC(c1c(cccc1)N)=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 subcutaneous 108mg/kg (108mg/kg)   Journal of Agricultural and Food Chemistry. Vol. 41, Pg. 96, 1993.