Name: Isoapetalic acid
Rating: 5 (10 reviews)

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sdf 文件

结构编辑

类似物检索

HIT ID:HIT213884758
Cas No:34366-34-2
常用名:Isoapetalic acid
别名:胡桐，海棠木
IUPAC:(3R)-3-[(2S,3S)-5-hydroxy-2,3,8,8-tetramethyl-4-oxo-2H,3H,4H,8H-pyrano[3,2-g]chromen-10-yl]hexanoic acid
IUPAC:(3R)-3-[(2S,3S)-5-hydroxy-2,3,8,8-tetramethyl-4-oxo-2H,3H,4H,8H-pyrano[3,2-g]chromen-10-yl]hexanoic acid
InChI key:JZWLSXINEVHWEP-RWMBFGLXSA-N

分子式:C22H28O6
分子量:388.46
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:CCC[C@H](CC(O)=O)c1c2OC(C)(C)C=Cc2c(O)c2C(=O)[C@@H](C)[C@H](C)Oc12 |c:14|
SMILES:CCC[C@H](CC(O)=O)c1c2OC(C)(C)C=Cc2c(O)c2C(=O)[C@@H](C)[C@H](C)Oc12 |c:14|

Isoapetalic acid and apetalic acid exhibit cytotoxic activities towards both cancer cell lines(human breast cancer (MCF-7) and human lung carcinoma (A-549) cell lines) and both Gram-positive bacteria(two Gram-positive bacteria, S. aureus and B. subtilis and two Gram-negative bacteria, P. aeruginosa and E. coli.).

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