Benastatin A

Name: Benastatin A
CAS#: 138968-85-1
Chemical Formula: C30H28O7
Exact Mass: 500.1835
Molecular Weight: 500.547
Elemental Analysis: C, 71.99; H, 5.64; O, 22.37

Description: Benastatin A is a polyketide synthase-derived benastatin that has been found in Streptomyces and has diverse biological activities. It inhibits glutathione S-transferase (GST; Ki = 5 µM for the rat liver enzyme). Benastatin A is active against several bacteria, including methicillin-resistant S. aureus (MRSA; MIC = 3.12 µg/ml). It induces apoptosis and cell cycle arrest at the G1/G0 phase in Colon 26 mouse colon cancer cells when used at concentrations of 20 and 16 µM, respectively.

IUPAC/Chemical Name: 1,7,9,11-tetrahydroxy-13,13-dimethyl-8-oxo-3-pentyl-8,13-dihydrobenzo[a]tetracene-2-carboxylic acid

InChi Key: LKGKHTANQJZVPR-UHFFFAOYSA-N

InChi Code: InChI=1S/C30H28O7/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/h8-13,31-34H,4-7H2,1-3H3,(H,36,37)

SMILES Code: O=C(O)C1=C(C=C2C=CC3=C(O)C4=C(C(C)(C5=C(C4=O)C(O)=CC(O)=C5)C)C=C3C2=C1O)CCCCC

Appearance: Solid powder