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Substance Name: Polyketomycin
RN: 200625-47-4
InChIKey: OWRCRVABZYJUES-FLJLGRLJSA-N

Note

  • An antibiotic from Streptomyces sp.

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C44-H48-O18

Molecular Weight

  • 864.8452
 
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Names and Synonyms

Name of Substance

  • Polyketomycin

Synonym

  • Polyketomycin

Systematic Name

  • 1,3,7,10,12(2H,4H,5H)-Naphthacenepentone, 4a,12a-dihydro-4-((5-((2,6-dideoxy-4-O-(2-hydroxy-3,6-dimethylbenzoyl)-3-C-methylhexopyranosyl)oxy)tetrahydro-6-methyl-2H-pyran-2-yl)oxy)-2-(1-hydroxyethylidene)-8-methoxy-6-methyl-4a,11,12a-trihydroxy-

Registry Numbers

CAS Registry Number

  • 200625-47-4

System Generated Number

  • 0200625474

Structure Descriptors

InChI

1S/C44H48O18/c1-16-9-10-17(2)33(47)28(16)41(53)62-39-21(6)59-27(15-42(39,7)54)60-24-11-12-26(58-20(24)5)61-40-36(50)30(19(4)45)37(51)44(56)38(52)31-22(14-43(40,44)55)18(3)29-32(35(31)49)23(46)13-25(57-8)34(29)48/h9-10,13,20-21,24,26-27,39-40,45,47,49,54-56H,11-12,14-15H2,1-8H3/b30-19+/t20-,21+,24+,26+,27+,39-,40-,42-,43-,44-/m1/s1

InChIKey

OWRCRVABZYJUES-FLJLGRLJSA-N

Smiles

Cc1ccc(c(c1C(=O)O[C@@H]2[C@@H](O[C@H](C[C@@]2(C)O)O[C@H]3CC[C@@H](O[C@@H]3C)O[C@@H]4C(=O)/C(=C(/C)\O)/C(=O)[C@@]5([C@]4(Cc6c(c7c(c(c6C5=O)O)C(=O)C=C(C7=O)OC)C)O)O)C)O)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 6250ug/kg (6.25mg/kg)   Journal of Antibiotics. Vol. 51, Pg. 21, 1998.