Name: Terpendole I
Rating: 5 (10 reviews)

有库存

sdf 文件

结构编辑

类似物检索

HIT ID:HIT214321086
Cas No:167612-17-1
常用名:Terpendole I
IUPAC:7-(2-hydroxypropan-2-yl)-1,2-dimethyl-6,10-dioxa-24-azaheptacyclo[13.10.0.0^{2,12}.0^{5,11}.0^{9,11}.0^{17,25}.0^{18,23}]pentacosa-17(25),18,20,22-tetraene-8,12-diol
IUPAC:7-(2-hydroxypropan-2-yl)-1,2-dimethyl-6,10-dioxa-24-azaheptacyclo[13.10.0.0^{2,12}.0^{5,11}.0^{9,11}.0^{17,25}.0^{18,23}]pentacosa-17(25),18,20,22-tetraene-8,12-diol
InChI key:AKOANWZRKXOJTC-UHFFFAOYSA-N

分子式:C27H35NO5
分子量:453.579
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:CC(C)(O)C1OC2CCC3(C)C4(C)C(Cc5c4[nH]c4ccccc54)CCC3(O)C22OC2C1O
SMILES:CC(C)(O)C1OC2CCC3(C)C4(C)C(Cc5c4[nH]c4ccccc54)CCC3(O)C22OC2C1O

Terpendole I is a fungal metabolite that has been found in A. yamanashiensis.1 It is a weak inhibitor of acyl-coenzyme A:cholesterol acyltransferase (ACAT; IC50 = 145 μM) and is active against the bacteria B. cereus and B. subtilis (MICs = 100 μg/ml for both) but not S. aureus, P. aeruginosa, or K. pneumoniae (MICs = >200 μg/ml for all) or the fungus C. albicans (MIC = 200 μg/ml).1,2 It is cytotoxic to HeLa cells with an IC50 value of 52.6 μM.3

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