Name: Benastatin A
Rating: 5 (10 reviews)

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类似物检索

HIT ID:HIT212101421
Cas No:138968-85-1
常用名:Benastatin A
IUPAC:5,13,17,19-tetrahydroxy-22,22-dimethyl-15-oxo-7-pentylpentacyclo[12.8.0.0^{3,12}.0^{4,9}.0^{16,21}]docosa-1,3(12),4(9),5,7,10,13,16,18,20-decaene-6-carboxylic acid
IUPAC:5,13,17,19-tetrahydroxy-22,22-dimethyl-15-oxo-7-pentylpentacyclo[12.8.0.0^{3,12}.0^{4,9}.0^{16,21}]docosa-1,3(12),4(9),5,7,10,13,16,18,20-decaene-6-carboxylic acid
InChI key:LKGKHTANQJZVPR-UHFFFAOYSA-N

分子式:C30H28O7
分子量:500.547
氢键供体数 (HBD):5
氢键受体数 (HBA):7
LogP:8.802184
SMILES:CCCCCc1cc2ccc3c(O)c4C(=O)c5c(O)cc(O)cc5C(C)(C)c4cc3c2c(O)c1C(O)=O
SMILES:CCCCCc1cc2ccc3c(O)c4C(=O)c5c(O)cc(O)cc5C(C)(C)c4cc3c2c(O)c1C(O)=O

Benastatin A is a polyketide synthase-derived benastatin that has been found inStreptomycesand has diverse biological activities.1,2,3It inhibits glutathione S-transferase (GST; Ki= 5 μM for the rat liver enzyme).2Benastatin A is active against several bacteria, including methicillin-resistantS. aureus(MRSA; MIC = 3.12 μg/ml). It induces apoptosis and cell cycle arrest at the G1/G0phase in Colon 26 mouse colon cancer cells when used at concentrations of 20 and 16 μM, respectively.3

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