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Substance Name: OM 4842
RN: 115626-67-0
InChIKey: NXMILGRUJOPZOM-WCWCMWHBSA-N

Note

  • From Streptomyces.

Classification Codes

  • Drug / Therapeutic Agent
  • Natural Product

Molecular Formula

  • C37-H46-O14

Molecular Weight

  • 714.756
 
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Names and Synonyms

Name of Substance

  • OM 4842

Synonyms

  • Aggreticin
  • OM-4842
  • Urdamycin G

Systematic Name

  • Benz(a)anthracene-1,7,12(2H)-trione, 9-(2,6-dideoxy-3-O-((2S-(2-alpha,5-beta,6-beta))-tetrahydro-5-hydroxy-6-methyl-2H-pyran-2-yl)-beta-D-arabino-hexopyranosyl)-3,4,4a,12b-tetrahydro-3,4a,8-trihydroxy-3-methyl-12b-((tetrahydro-5-hydroxy-6-methyl-2H-pyran-2-yl)oxy)-,(3R-(3-alpha,4a-alpha,12b-alpha(2S*,5S*,6S*)))-

Registry Numbers

CAS Registry Number

  • 115626-67-0

System Generated Number

  • 0115626670

Structure Descriptors

InChI

1S/C37H46O14/c1-16-22(38)7-9-27(48-16)50-25-13-24(47-18(3)31(25)41)19-5-6-20-29(32(19)42)33(43)21-11-12-36(46)15-35(4,45)14-26(40)37(36,30(21)34(20)44)51-28-10-8-23(39)17(2)49-28/h5-6,11-12,16-18,22-25,27-28,31,38-39,41-42,45-46H,7-10,13-15H2,1-4H3/t16-,17-,18+,22-,23-,24+,25+,27-,28-,31+,35-,36-,37-/m0/s1

InChIKey

NXMILGRUJOPZOM-WCWCMWHBSA-N

Smiles

O([C@@]12C=3C(c4ccc(c(c4C(C3C=C[C@@]1(C[C@](CC2=O)(O)C)O)=O)O)[C@@H]1O[C@@H]([C@@H](O)[C@@H](C1)O[C@H]1CC[C@@H]([C@@H](O1)C)O)C)=O)[C@H]1CC[C@@H]([C@@H](O1)C)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 200ug/kg (0.2mg/kg)   Journal of Antibiotics. Vol. 41, Pg. 812, 1988.