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Substance Name: Hydroxysenkirkine
RN: 26782-43-4
UNII: 6OQV6HU6GI
InChIKey: CRWHRMSWJOLABX-OIMJGDGPSA-N

Molecular Formula

  • C19-H28-N-O7

Molecular Weight

  • 382.4302
 

Classification Codes

Classification Codes

  • Natural Product
  • Tumor Data

Superlist Classification Code

  • Overall Carcinogenic Evaluation: Group 3
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Names and Synonyms

Name of Substance

  • Hydroxysenkirkine

Synonyms

  • 18-Hydroxyrenardine
  • 18-Hydroxysenkirkine
  • 8,12,18-Trihydroxy-4-methyl-11,16-dioxosenecionanium
  • HSDB 3493
  • Hydroxysenkirkine
  • Hydroxysenkirkine (conjugate acid)
  • Senecionanium, 8,12,18-trihydroxy-4-methyl-11,16-dioxo-
  • Senkirkine, hydroxy-
  • trans-15-Ethylidene-12beta-hydroxy-12alpha-hydroxymethyl-4,13beta-dimethyl-8-oxo-4,8-secosenec-1-enine
  • UNII-6OQV6HU6GI

Systematic Names

  • 8,12,18-Trihydroxy-4-methyl-11,16-dioxosenecionanium
  • Senecionanium, 8,12,18-trihydroxy-4-methyl-11,16-dioxo-

Superlist Name

  • Hydroxysenkirkine

Registry Numbers

CAS Registry Number

  • 26782-43-4

FDA UNII

  • 6OQV6HU6GI

System Generated Number

  • 0026782434

Structure Descriptors

InChI

1S/C19H28NO7/c1-4-13-9-12(2)18(24,11-21)17(23)26-10-14-5-7-20(3)8-6-15(19(14,20)25)27-16(13)22/h4-5,12,15,21,24-25H,6-11H2,1-3H3/q+1/b13-4-/t12-,15-,18-,19+,20+/m1/s1

InChIKey

CRWHRMSWJOLABX-OIMJGDGPSA-N

Smiles

C\C=C/1\C[C@@H](C)[C@](O)(CO)C(=O)OCC2=CC[N@@+]3(C)CC[C@@H](OC1=O)[C@@]23O