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Substance Name: Senkirkin
RN: 2318-18-5
UNII: X65P7V4LVJ
InChIKey: HPDHKHMHQGCNPE-QLJRNOHWSA-N

Note

  • Macrocyclic secopyrrolizidine alkaloid from Senecio.

Molecular Formula

  • C19-H27-N-O6

Molecular Weight

  • 365.4233
 

Classification Codes

Classification Codes

  • Mutation Data
  • Tumor Data

Superlist Classification Code

  • Overall Carcinogenic Evaluation: Group 3
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Names and Synonyms

Name of Substance

  • Senkirkin
  • Senkirkine

Synonyms

  • 2,12-Dihydroxy-4-methyl-11,16-dioxosenecionanium
  • 4,8-Secosenecionan-8,11,16-trione, 12-hydroxy-4-methyl-
  • CCRIS 557
  • HSDB 3536
  • NSC-89945
  • Renardin
  • Renardine
  • Renardine (neutral)
  • Renardine (neutral) (VAN)
  • Senecionanium, 8,12-dihydroxy-4-methyl-11,16-dioxo-
  • Senkarkane
  • Senkirkin
  • Senkirkine
  • Senkirkine (neutral)
  • Senkirkine (neutral) (VAN)
  • trans-15-Ethylidene-12-beta-hydroxy-4,12-alpha,13-beta-trimethyl 8-oxo-4,8 secosenec-1-enine
  • UNII-X65P7V4LVJ

Systematic Names

  • 12-Hydroxy-4-methyl-4,8-secosenecionan-8,11,16-trione
  • 4,8-Secosenecionan-8,11,16-trione, 12-hydroxy-4-methyl- (9CI)
  • Senecionanium, 8,12-dihydroxy-4-methyl-11,16-dioxo-
  • Senkirkine

Superlist Name

  • Senkirkine

Registry Numbers

CAS Registry Number

  • 2318-18-5

FDA UNII

  • X65P7V4LVJ

System Generated Number

  • 0002318185

Structure Descriptors

InChI

1S/C19H27NO6/c1-5-13-10-12(2)19(3,24)18(23)25-11-14-6-8-20(4)9-7-15(16(14)21)26-17(13)22/h5-6,12,15,24H,7-11H2,1-4H3/b13-5-,14-6-/t12-,15-,19-/m1/s1

InChIKey

HPDHKHMHQGCNPE-QLJRNOHWSA-N

Smiles

C\C=C/1\C[C@@H](C)[C@@](C)(O)C(=O)OC\C\2=C\CN(C)CC[C@@H](OC1=O)C2=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rat LD50 intraperitoneal 220mg/kg (220mg/kg)   JNCI, Journal of the National Cancer Institute. Vol. 63, Pg. 469, 1979.
rat LDLo oral 200mg/kg (200mg/kg) LIVER: OTHER CHANGES Nature. Vol. 227, Pg. 401, 1970.