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Substance Name: Vanilloylzygadenine
RN: 67370-01-8
InChIKey: NIEIJAOPLMFSMK-OYYCYGOVSA-N

Classification Codes

  • Drug / Therapeutic Agent
  • Natural Product

Molecular Formula

  • C35-H49-N-O10

Molecular Weight

  • 643.769
 
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Names and Synonyms

Results Name

  • Vanilloylzygadenine

Synonyms

  • 3-Vaniloylzygadenine
  • 4-21-00-06777 (Beilstein Handbook Reference)
  • BRN 0075007
  • Vanilloylzygadenine

Systematic Name

  • Cevane-3,4,14,15,16,20-hexol, 4,9-epoxy-, 3-(4-hydroxy-3-methoxybenzoate), (3-beta,4-alpha,15-alpha,16-beta)-

Registry Numbers

CAS Registry Number

  • 67370-01-8

System Generated Number

  • 0067370018

Structure Descriptors

InChI

1S/C35H49NO10/c1-17-5-10-25-32(3,41)27-19(16-36(25)15-17)20-14-33-24(34(20,42)29(39)28(27)38)9-8-23-31(33,2)12-11-26(35(23,43)46-33)45-30(40)18-6-7-21(37)22(13-18)44-4/h6-7,13,17,19-20,23-29,37-39,41-43H,5,8-12,14-16H2,1-4H3/t17-,19?,20?,23?,24?,25-,26-,27?,28+,29-,31-,32+,33-,34-,35+/m0/s1

InChIKey

NIEIJAOPLMFSMK-OYYCYGOVSA-N

Smiles

C1[C@]23[C@@H]([C@@]4([C@H]([C@H](O)[C@@H]5[C@@H]([C@@H]14)C[N@@]1C[C@@H](C)CC[C@@H]1[C@@]5(C)O)O)O)CC[C@@H]1[C@@]2(CC[C@@H]([C@]1(O3)O)OC(c1cc(c(O)cc1)OC)=O)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
dog LDLo intravenous 14mg/kg (14mg/kg) CARDIAC: ARRHYTHMIAS (INCLUDING CHANGES IN CONDUCTION) Journal of Pharmacology and Experimental Therapeutics. Vol. 120, Pg. 412, 1957.