Name: Benastatin B
CAS#: 138968-86-2
Chemical Formula: C30H30O7
Exact Mass: 502.1992
Molecular Weight: 502.563
Elemental Analysis: C, 71.70; H, 6.02; O, 22.28
Description: Benastatin B is a polyketide synthase-derived benastatin that has been found in Streptomyces and has diverse biological activities. It inhibits glutathione S-transferase (GST; Ki = 3.7 µM for the rat liver enzyme).2 Benastatin B also inhibits the transglycosylase activity of A. baumannii, C. difficile, E. coli, and S. aureus recombinant penicillin-binding proteins (PBPs; IC50s = 16, 53.3, 30.7, and 31.6 µM, respectively).3 It is active against several bacteria, including methicillin-resistant S. aureus (MRSA; MIC = 3.12 µg/ml).
IUPAC/Chemical Name: 1,7,9,11-tetrahydroxy-13,13-dimethyl-8-oxo-3-pentyl-5,6,8,13-tetrahydrobenzo[a]tetracene-2-carboxylic acid
InChi Key: FUKMCLKFEWEFSC-UHFFFAOYSA-N
InChi Code: InChI=1S/C30H30O7/c1-4-5-6-7-14-10-15-8-9-17-18(22(15)27(34)23(14)29(36)37)13-20-25(26(17)33)28(35)24-19(30(20,2)3)11-16(31)12-21(24)32/h10-13,31-34H,4-9H2,1-3H3,(H,36,37)
SMILES Code: O=C(O)C1=C(C=C2CCC3=C(O)C4=C(C(C)(C5=C(C4=O)C(O)=CC(O)=C5)C)C=C3C2=C1O)CCCCC
Appearance: Solid powder
关键字： Benastatin-B;138968-86-2;Benastatin B;
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