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Substance Name: Auramycin E
RN: 83753-72-4
InChIKey: WGLYNEPBFANBDP-AXVDPITDSA-N

Note

  • From Streptomyces galilaeus.

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C41-H53-N-O15

Molecular Weight

  • 799.862
 
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Names and Synonyms

Name of Substance

  • Auramycin E

Synonym

  • Auramycin E

Systematic Names

  • 1-Naphthacenecarboxylic acid, 1,2,3,4,6,11-hexahydro-2,5,7-trihydroxy-2-methyl-6,11-dioxo-4-((2,3,6-trideoxy-4-O-(2,6-dideoxy-4-O-((2S-(2alpha,5alpha,6beta))-tetrahydro-5-hydroxy-6-methyl-2H-pyran-2-yl)-alpha-L-lyxo-hexopyranosyl)-3-(dimethylamino)-alpha-L-lyxo-hexopyranosyl)oxy )-, methyl ester, (1R-(1alpha,2beta,4beta))-
  • 1-Naphthacenecarboxylic acid, 1,2,3,4,6,11-hexahydro-6,11-dioxo-2-methyl-4-((2,3,6-trideoxy-4-(O-(2,6-dideoxy-4-O-((2S-(2-alpha,5-alpha,6-beta))-tetrahydro-5-hydroxy-6-methyl-2H-pyran-2-yl)-alpha-L-lyxo-hexopyranosyl)-3-(dimethylamino)-alpha-lyxo-hexopyranosyl)oxy)-2,5,7-trihydroxy-, methyl ester, (1R-(1-alpha,2-beta,4-beta))-

Registry Numbers

CAS Registry Number

  • 83753-72-4

System Generated Number

  • 0083753724

Structure Descriptors

InChI

1S/C41H53NO15/c1-17-24(43)11-12-28(52-17)56-39-19(3)54-30(15-26(39)45)57-38-18(2)53-29(14-23(38)42(5)6)55-27-16-41(4,50)34(40(49)51-7)21-13-22-33(37(48)32(21)27)36(47)31-20(35(22)46)9-8-10-25(31)44/h8-10,13,17-19,23-24,26-30,34,38-39,43-45,48,50H,11-12,14-16H2,1-7H3/t17-,18-,19-,23-,24+,26-,27-,28-,29-,30-,34-,38?,39+,41+/m0/s1

InChIKey

WGLYNEPBFANBDP-AXVDPITDSA-N

Smiles

N([C@H]1C[C@H](O[C@@H]2c3c(c4C(=O)c5c(cccc5C(=O)c4cc3[C@@H](C(=O)OC)[C@](C)(C2)O)O)O)O[C@H](C)[C@@H]1O[C@H]1C[C@@H]([C@@H]([C@@H](O1)C)O[C@H]1CC[C@H]([C@@H](O1)C)O)O)(C)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 20mg/kg (20mg/kg)   Japanese Kokai Tokyo Koho Patents. Vol. #82-96000,