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Substance Name: Aquayamycin
RN: 26055-63-0
InChIKey: KCOULPRVOZDQEL-IFNZWHIZSA-N

Classification Codes

  • Drug / Therapeutic Agent
  • Natural Product

Molecular Formula

  • C25-H26-O10

Molecular Weight

  • 486.47
 
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Names and Synonyms

Name of Substance

  • Aquayamycin

Synonyms

  • 9-(2,6-Dideoxy-beta-D-arabino-hexopyranosyl)-3,4,4a,12b-tetrahydro-3,4a,8,12b-tetrahydroxy-3-methylbenz(a)anthracene-1,7,12(2H)-trione (3R-(3alpha,4aalpha,12balpha))-
  • Aquayamycin
  • NSC 184398
  • Urdamycinone A

Systematic Names

  • 9-(Tetrahydro-4',5'-dihydroxy-6'-methyl-2'H-pyran-2'-yl)-3,4,4a,12b-tetrahydro-3,4a,8,12b-tetrahydroxy-3-methyl-benz(a)anthracene-1,7,12(2H)-trione
  • Benz(a)anthracene-1,7,12(2H)-trione, 9-(2,6-dideoxy-beta-D-arabino-hexopyranosyl)-3,4,4a,12b-tetrahydro-3,4a,8,12b-tetrahydroxy-3-methyl-, (3R-(3alpha,4aalpha,12balpha))-
  • Benz(a)anthracene-1,7,12-(2H)-trione, 3,4,4a,12b-tetrahydro-3,4a,8,12b-tetrahydroxy-3-methyl-9-(tetrahydro-4,5-dihydroxy-6-methyl-2H-pyran-2-yl)-

Registry Numbers

CAS Registry Number

  • 26055-63-0

System Generated Number

  • 0026055630

Structure Descriptors

InChI

1S/C25H26O10/c1-10-19(28)14(26)7-15(35-10)11-3-4-12-17(20(11)29)21(30)13-5-6-24(33)9-23(2,32)8-16(27)25(24,34)18(13)22(12)31/h3-6,10,14-15,19,26,28-29,32-34H,7-9H2,1-2H3/t10-,14-,15-,19-,23+,24+,25+/m1/s1

InChIKey

KCOULPRVOZDQEL-IFNZWHIZSA-N

Smiles

C12=C(C(=O)c3c(C2=O)ccc(c3O)[C@@H]2O[C@@H]([C@@H](O)[C@@H](C2)O)C)C=C[C@@]2([C@@]1(C(C[C@@](O)(C)C2)=O)O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 12500ug/kg (12.5mg/kg)   Journal of Antibiotics. Vol. 21, Pg. 91, 1968.