Skip Navigation
ChemIDplus A TOXNET DATABASE LiteBrowseAdvanced

Substance Name: Ascochlorin
RN: 26166-39-2
UNII: PEZ8F05ODV
InChIKey: SETVRSKZJJWOPA-MNGIZWTHSA-N

Classification Codes

  • Drug / Therapeutic Agent
  • Natural Product

Molecular Formula

  • C23-H29-Cl-O4

Molecular Weight

  • 404.931
 
* denotes mobile formatted website

Links to Resources

NLM Resources (File Locators)

Other Resources (Internet Locators)


Search for this InChIKey on the Web

Names and Synonyms

Name of Substance

  • Ascochlorin

Synonyms

  • 3-Chloro-4,6-dihydroxy-2-methyl-5-(3-methyl-5-(1,2,6-trimethyl-3-oxocyclohexyl)-2,4-pentadienyl)benzaldehyde (1R-(1alpha(2E,4E),2beta,6beta))-
  • Antibiotic LL-Z1272 gamma
  • Ascochlorin
  • Ilicicolin D
  • LL-Z 1272 gamma
  • NSC 287492
  • UNII-PEZ8F05ODV

Systematic Names

  • Benzaldehyde, 3-chloro-4,6-dihydroxy-2-methyl-5-(3-methyl-5-(1,2,6-trimethyl-3-oxocyclohexyl)-2,4-pentadienyl)-, (1R-(1alpha(2E,4E),2beta,6beta))-
  • beta-Resorcylaldehyde, 5-chloro-6-methyl-3-(3-methyl-5-(1,2,6-trimethyl-3-oxocyclohexyl)-2,4-pentadienyl)-, (E,E)-

Registry Numbers

CAS Registry Number

  • 26166-39-2

FDA UNII

  • PEZ8F05ODV

System Generated Number

  • 0026166392

Structure Descriptors

InChI

1S/C23H29ClO4/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/h6,10-12,14,16,27-28H,7-9H2,1-5H3/b11-10-,13-6+

InChIKey

SETVRSKZJJWOPA-MNGIZWTHSA-N

Smiles

c1(c(c(C=O)c(c(c1O)Cl)C)O)C\C=C(\C=C/[C@@]1([C@@H](C(=O)CC[C@@H]1C)C)C)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 20mg/kg (20mg/kg)   Journal of Antibiotics. Vol. 21, Pg. 539, 1968.