Skip Navigation
ChemIDplus A TOXNET DATABASE LiteBrowseAdvanced

Substance Name: Secalonic acid A
RN: 35287-72-0
UNII: PFL7XJ35SC
InChIKey: DRYDKQOPVBDZMQ-ZKHWAINJSA-N

Classification Codes

  • Drug / Therapeutic Agent
  • Natural Product

Molecular Formula

  • C32-H30-O14

Molecular Weight

  • 638.575
 
* 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

  • Secalonic acid A

Synonyms

  • Entothein
  • Ergochrome AA(2,2')
  • Secalonic acid A
  • UNII-PFL7XJ35SC

Systematic Name

  • (7,7'-Bi-4aH-xanthene)-4a,4'a-dicarboxylic acid, 2,2',3,3,'4,4',9,9'-octahydro-1,1',4,4',8,8'-hexahydroxy-3,3'-dimethyl-9,9'-dioxo-, dimethyl ester, (3R-(3-alpha,4-beta,4-alpha,beta,7(3'R*,4'S*,4'aS*)))-

Registry Numbers

CAS Registry Number

  • 35287-72-0

FDA UNII

  • PFL7XJ35SC

System Generated Number

  • 0035287720

Structure Descriptors

InChI

1S/C32H30O14/c1-11-9-15(33)21-25(37)19-17(45-31(21,27(11)39)29(41)43-3)7-5-13(23(19)35)14-6-8-18-20(24(14)36)26(38)22-16(34)10-12(2)28(40)32(22,46-18)30(42)44-4/h5-8,11-12,27-28,33-36,39-40H,9-10H2,1-4H3/t11-,12-,27+,28+,31+,32+/m1/s1

InChIKey

DRYDKQOPVBDZMQ-ZKHWAINJSA-N

Smiles

c1c(c(c2c(O[C@@]3([C@H]([C@@H](CC(=C3C2=O)O)C)O)C(OC)=O)c1)O)c1ccc2c(c1O)C(C=1[C@@](O2)([C@H]([C@@H](CC1O)C)O)C(=O)OC)=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 50mg/kg (50mg/kg)   "CRC Handbook of Antibiotic Compounds," Vols.1- , Berdy, J., Boca Raton, FL, CRC Press, 1980Vol. 5, Pg. 413, 1981.