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Substance Name: LL-D49194alpha1
RN: 99755-38-1
InChIKey: FZSZABYRGYFXRS-UHFFFAOYSA-N

Note

  • From Streptomyces vinaceus-drappus.

Classification Codes

  • Drug / Therapeutic Agent
  • Natural Product

Molecular Formula

  • C48-H64-O22

Molecular Weight

  • 993.012
 
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Names and Synonyms

Name of Substance

  • LL-D49194alpha1

Synonym

  • LL-D 49194 alpha1

Systematic Name

  • Trioxacarcin A, 13-O-de(4-C-acetyl-2,6-dideoxy-alpha-L-xylo-hexopyranosyl)-16-O-demethyl-16-O-(2,6-dideoxy-4-O-(2,6-dideoxy-3-C-methyl-alpha-L-xylo-hexopyranosyl)-3-C-methyl-alpha-L-xylo-hexopyranosyl)-13-O-methyl-

Registry Numbers

CAS Registry Number

  • 99755-38-1

System Generated Number

  • 0099755381

Structure Descriptors

InChI

1S/C48H64O22/c1-18-12-23-30(34(52)32-31(35(23)57-9)25(13-24(50)33(32)51)65-26-15-44(7,55)39(20(3)62-26)64-22(5)49)36-29(18)37-41-47(59-11,68-36)46(17-60-46)48(69-37,70-41)42(58-10)67-28-16-45(8,56)40(21(4)63-28)66-27-14-43(6,54)38(53)19(2)61-27/h12,19-21,24-28,37-42,50,52-56H,13-17H2,1-11H3

InChIKey

FZSZABYRGYFXRS-UHFFFAOYSA-N

Smiles

C1[C@@]2(O1)[C@@]1(O[C@@H]3[C@@]2(OC)Oc2c([C@@H]3O1)c(cc1c2c(c2c(c1OC)[C@@H](C[C@@H](C2=O)O)O[C@@H]1O[C@@H]([C@@H]([C@@](C1)(O)C)OC(C)=O)C)O)C)[C@@H](O[C@@H]1O[C@@H]([C@@H](O[C@@H]2C[C@@](C)(O)[C@@H](O)[C@@H](C)O2)[C@@](C1)(C)O)C)OC

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 1060ug/kg (1.06mg/kg)   Cancer Chemotherapy and Pharmacology. Vol. 31, Pg. 395, 1993.