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Substance Name: Benanomicin A
RN: 116249-65-1
InChIKey: GOYUMGXIFMGKFN-NUVDETJMSA-N

Note

  • From Actinomycete sp. MH193-16F4.

Classification Codes

  • Drug / Therapeutic Agent
  • Natural Product

Molecular Formula

  • C39-H41-N-O19

Molecular Weight

  • 827.741
 
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Names and Synonyms

Name of Substance

  • Benanomicin A

Synonym

  • Benanomicin A

Systematic Name

  • D-Alanine, N-((5-((6-deoxy-3-O-beta-D-xylopyranosyl-beta-D-galactopyranosyl)oxy)-5,6,8,13-tetrahydro-1,6,9,14-tetrahydroxy-11-methoxy-3-methyl-8,13-dioxobenzo(a)naphthacen-2-yl)carbonyl)-, (5S-trans)-

Registry Numbers

CAS Registry Number

  • 116249-65-1

System Generated Number

  • 0116249651

Structure Descriptors

InChI

1S/C39H41NO19/c1-10-5-17-23(30(48)20(10)36(52)40-11(2)37(53)54)22-15(8-16-24(31(22)49)27(45)14-6-13(55-4)7-18(41)21(14)26(16)44)28(46)34(17)58-39-33(51)35(25(43)12(3)57-39)59-38-32(50)29(47)19(42)9-56-38/h5-8,11-12,19,25,28-29,32-35,38-39,41-43,46-51H,9H2,1-4H3,(H,40,52)(H,53,54)/t11-,12-,19-,25+,28+,29+,32-,33-,34+,35+,38+,39+/m1/s1

InChIKey

GOYUMGXIFMGKFN-NUVDETJMSA-N

Smiles

c12c(C(=O)c3c(cc(OC)cc3O)C1=O)cc1c(c3c([C@@H](O[C@@H]4O[C@@H]([C@@H]([C@@H]([C@H]4O)O[C@H]4[C@@H]([C@H]([C@@H](CO4)O)O)O)O)C)[C@H]1O)cc(C)c(c3O)C(=O)N[C@H](C)C(=O)O)c2O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD intravenous > 600mg/kg (600mg/kg)   Journal of Antibiotics. Vol. 41, Pg. 807, 1988.