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Substance Name: Ilicicolin E
RN: 23887-67-4
InChIKey: ZLAQYJKDQSZARB-FLDGXQSCSA-N

Classification Codes

  • Drug / Therapeutic Agent
  • Natural Product

Molecular Formula

  • C23-H27-Cl-O4

Molecular Weight

  • 402.915
 
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Names and Synonyms

Results Name

  • Ilicicolin E

Synonyms

  • 3-Chloro-4,6-dihydroxy-2-methyl-5-(3-methyl-5-(1,2,6-trimethyl-5-oxo-3-cyclohexen-1-yl)-2,4-pentadienyl)benzaldehyde (1S-(1alpha(2E,4E),2beta,6beta))-
  • Cylindrochlorin
  • Ilicicolin E

Systematic Names

  • Benzaldehyde, 3-chloro-4,6-dihydroxy-2-methyl-5-(3-methyl-5-(1,2,6-trimethyl-5-oxo-3-cyclohexen-1-yl)-2,4-pentadienyl)-, (1S-(1alpha(2E,4E),2beta,6beta))-
  • beta-Resorcylaldehyde, 5-chloro-6-methyl-3-(3-methyl-5-(1,2,6-trimethyl-5-oxo-3-cyclohexen-1-yl)-2,4-pentadienyl)-

Registry Numbers

CAS Registry Number

  • 23887-67-4

System Generated Number

  • 0023887674

Structure Descriptors

InChI

1S/C23H27ClO4/c1-13(10-11-23(5)14(2)7-9-19(26)16(23)4)6-8-17-21(27)18(12-25)15(3)20(24)22(17)28/h6-7,9-12,14,16,27-28H,8H2,1-5H3/b11-10+,13-6+/t14-,16+,23+/m1/s1

InChIKey

ZLAQYJKDQSZARB-FLDGXQSCSA-N

Smiles

C(c1c(c(c(c(c1O)C\C=C(\C=C\[C@]1([C@@H](C=CC([C@@H]1C)=O)C)C)C)O)Cl)C)=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 37900ug/kg (37.9mg/kg)   Journal of Antibiotics. Vol. 24, Pg. 653, 1971.