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Substance Name: Cochliodinol
RN: 11051-88-0
InChIKey: ZXRULNXZJSCTQQ-UHFFFAOYSA-N

Note

  • Antibiotic from Chaetomium cochliodes (Ascomycetes).

Classification Codes

  • Drug / Therapeutic Agent
  • Natural Product

Molecular Formula

  • C32-H30-N2-O4

Molecular Weight

  • 506.599
 
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Names and Synonyms

Name of Substance

  • Cochliodinol

Synonyms

  • 2,5-Cyclohexadiene-1,4-dione, 2,5-dihydroxy-3,6-bis(5-(3-methyl-2-butenyl)-1H-indol-3-yl)-
  • 3,6-Bis(5-(3-methyl-2-butenyl)indol-3-yl)-2,5-dihydroxy-p-benzoquinone
  • 5-25-03-00406 (Beilstein Handbook Reference)
  • BRN 5188623
  • Cochliodinol
  • RTECS DQ0700000

Systematic Names

  • 2,5-Dihydroxy-3,6-bis(5-(3-methyl-2-butenyl)-1H-indol-3-yl)-2,5-cyclohexadiene-1,4-dione
  • p-Benzoquinone, 3,6-bis(5-(3-methyl-2-butenyl)indol-3-yl)-2,5-dihydroxy-

Registry Numbers

CAS Registry Number

  • 11051-88-0

System Generated Number

  • 0011051880

Structure Descriptors

InChI

1S/C32H30N2O4/c1-17(2)5-7-19-9-11-25-21(13-19)23(15-33-25)27-29(35)31(37)28(32(38)30(27)36)24-16-34-26-12-10-20(14-22(24)26)8-6-18(3)4/h5-6,9-16,33-35,38H,7-8H2,1-4H3

InChIKey

ZXRULNXZJSCTQQ-UHFFFAOYSA-N

Smiles

C1(C(=C(C(C(=C1c1c[nH]c2ccc(cc12)C\C=C(\C)C)O)=O)c1c[nH]c2ccc(cc12)C\C=C(\C)C)O)=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 41mg/kg (41mg/kg)   "CRC Handbook of Antibiotic Compounds," Vols.1- , Berdy, J., Boca Raton, FL, CRC Press, 1980Vol. 3, Pg. 310, 1980.
mouse LD50 oral 221mg/kg (221mg/kg)   "CRC Handbook of Antibiotic Compounds," Vols.1- , Berdy, J., Boca Raton, FL, CRC Press, 1980Vol. 3, Pg. 310, 1980.
mouse LD50 subcutaneous 147mg/kg (147mg/kg)   "CRC Handbook of Antibiotic Compounds," Vols.1- , Berdy, J., Boca Raton, FL, CRC Press, 1980Vol. 3, Pg. 310, 1980.