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Substance Name: Aflastatin A
RN: 179729-59-0
InChIKey: VAQYWUJSXJULKR-YLMXTBCDSA-N

Note

  • Inhibitor of aflatoxin production by aflatoxigenic fungi; from Streptomyces sp.

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C62-H115-N-O24

Molecular Weight

  • 1258.5735
 
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Names and Synonyms

Name of Substance

  • Aflastatin A

Synonym

  • Aflastatin A

Systematic Name

  • 2,4-Pyrrolidinedione, 1,5-dimethyl-3-(1,8,9,11,13,15,17,19,21,23,25,27,28,29,30,31-hexadecahydroxy-2,4,6,10,12,14,18,20-octamethyl-32-(tetrahydro-3,4,5,6-tetrahydroxy-6-(2-hydroxyundecyl)-2H-pyran-2-yl)-2-dotriacontenylidene)-

Registry Numbers

CAS Registry Number

  • 179729-59-0

System Generated Number

  • 0179729590

Structure Descriptors

InChI

1S/C62H115NO24/c1-12-13-14-15-16-17-18-19-38(64)28-62(86)60(84)59(83)57(81)47(87-62)27-46(72)56(80)58(82)55(79)45(71)25-40(66)23-39(65)24-41(67)32(5)50(74)33(6)42(68)26-43(69)34(7)51(75)35(8)52(76)36(9)53(77)44(70)22-30(3)20-29(2)21-31(4)49(73)48-54(78)37(10)63(11)61(48)85/h21,29-30,32-47,50-53,55-60,64-77,79-84,86H,12-20,22-28H2,1-11H3/b31-21+,49-48+/t29-,30+,32-,33-,34-,35+,36-,37+,38+,39+,40-,41+,42-,43+,44-,45-,46+,47+,50+,51+,52+,53-,55+,56-,57+,58-,59-,60-,62-/m0/s1

InChIKey

VAQYWUJSXJULKR-YLMXTBCDSA-N

Smiles

CCCCCCCCC[C@H](C[C@]1([C@H]([C@H]([C@@H]([C@H](O1)C[C@H]([C@@H]([C@H]([C@@H]([C@H](C[C@H](C[C@H](C[C@H]([C@H](C)[C@H]([C@@H](C)[C@H](C[C@H]([C@H](C)[C@H]([C@@H](C)[C@H]([C@H](C)[C@@H]([C@H](C[C@H](C)C[C@H](C)/C=C(\C)/C(=C\2/C(=O)[C@H](N(C2=O)C)C)/O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 6170ug/kg (6.17mg/kg)   Journal of Antibiotics. Vol. 50, Pg. 11, 1997.
mouse LD50 oral > 1gm/kg (1000mg/kg)   Journal of Antibiotics. Vol. 50, Pg. 111, 1997.