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Substance Name: Dioxamycin
RN: 134861-62-4
InChIKey: HWMMBHOXHRVLCU-QOUANJGESA-N

Note

  • From strain MH406-SF1, closely related to Streptomyces xantholiticus.

Classification Codes

  • Drug / Therapeutic Agent
  • Natural Product

Molecular Formula

  • C38-H40-O15

Molecular Weight

  • 736.719
 
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Names and Synonyms

Name of Substance

  • Dioxamycin

Systematic Names

  • 1,3-Dioxolane-2-carboxylic acid, 2,4-dimethyl-5-(7-oxo-7-((tetrahydro-2-methyl-6-(1,2,3,4,4a,7,12,12b-octahydro-2,3,4a,8,12b-pentahydroxy-3-methyl- 1,7,12-trioxobenz(a)anthracen-9-yl)-2H-pyran-3-yl)oxy)-1,3,5-heptatrienyl)-, (2-alpha,3-alpha,4a-alpha,9(2R*,3S*(1E(2S*,4S*,5S*),3E,5E)6R*),12b-alpha)-(+)-
  • 1,3-Dioxolane-2-carboxylic acid, 2,4-dimethyl-5-(7-oxo-7-((tetrahydro-2-methyl-6-(1,2,3,4,4a,7,12,12b-octahydro-2,3,4a,8,12b-pentahydroxy-3-methyl-1,7,12-trioxobenz(a)anthracen-9-yl)-2H-pyran-3-yl)oxy)-1,3,5-heptatrienyl)-, (2alpha,3alpha,4aalpha,9(2R*,3S*(1E(2S*,4S*,5S*),3E,5E),6R*),12balpha)-(+)-
  • 1,3-Dioxolane-2-carboxylic acid, 2,4-dimethyl-5-(7-oxo-7-((tetrahydro-2-methyl-6-(1,2,3,4,4a,7,12,12b-octahydro-2,3,4a,8,12b-pentahydroxy-3-methyl-1,7,12-trioxobenz(a)anthracen-9-yl)-2H-pyren-3-yl)oxy)-1,3,5-heptatrienyl)-, (2alpha,3alpha,4aalpha,9(2R*,3S*(1E(2S*,4S*,5S*),3E,5E),6R*),12balpha)-(+)-

Registry Numbers

CAS Registry Number

  • 134861-62-4

System Generated Number

  • 0134861624

Structure Descriptors

InChI

1S/C38H40O15/c1-18-23(51-26(39)10-8-6-5-7-9-24-19(2)52-36(4,53-24)34(45)46)13-14-25(50-18)20-11-12-21-27(29(20)40)30(41)22-15-16-37(48)17-35(3,47)32(43)33(44)38(37,49)28(22)31(21)42/h5-12,15-16,18-19,23-25,32,40,43,47-49H,13-14,17H2,1-4H3,(H,45,46)/b6-5+,9-7+,10-8+/t18-,19+,23?,24+,25-,32+,35+,36+,37+,38-/m1/s1

InChIKey

HWMMBHOXHRVLCU-QOUANJGESA-N

Smiles

O1[C@](O[C@H]([C@@H]1\C=C\C=C\C=C\C(O[C@@H]1[C@H](O[C@H](CC1)c1c(c2C(C=3C=C[C@@]4([C@@](C3C(c2cc1)=O)(C([C@@H]([C@@](C4)(C)O)O)=O)O)O)=O)O)C)=O)C)(C(=O)O)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 12500ug/kg (12.5mg/kg)   Journal of Antibiotics. Vol. 44, Pg. 396, 1991.