Name: Taxacin
Rating: 5 (10 reviews)

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sdf 文件

结构编辑

类似物检索

HIT ID:HIT213886541
Cas No:
常用名:Taxacin
IUPAC:[(1R,2R,3S,4R,5R,6S,8S,10R,11R,12R,15S)-3,4,6,11-tetrakis(acetyloxy)-2-hydroxy-1,15-dimethyl-9-methylidene-14-oxo-8-{[(2E)-3-phenylprop-2-enoyl]oxy}-16-oxatetracyclo[10.5.0.0^{2,15}.0^{5,10}]heptadecan-5-yl]methyl benzoate
IUPAC:[(1R,2R,3S,4R,5R,6S,8S,10R,11R,12R,15S)-3,4,6,11-tetrakis(acetyloxy)-2-hydroxy-1,15-dimethyl-9-methylidene-14-oxo-8-{[(2E)-3-phenylprop-2-enoyl]oxy}-16-oxatetracyclo[10.5.0.0^{2,15}.0^{5,10}]heptadecan-5-yl]methyl benzoate
InChI key:QSCIDKJZGZYKSP-KCCIQLONSA-N

分子式:C44H48O15
分子量:816.853
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:CC(=O)O[C@H]1C[C@H](OC(=O)\C=C\c2ccccc2)C(=C)[C@H]2[C@H](OC(C)=O)[C@@H]3CC(=O)[C@@]4(C)OC[C@]3(C)[C@@]4(O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@]12COC(=O)c1ccccc1 |TLB:37:36:26.27.28:32.33,38:36:26.27.28:32.33|
SMILES:CC(=O)O[C@H]1C[C@H](OC(=O)\C=C\c2ccccc2)C(=C)[C@H]2[C@H](OC(C)=O)[C@@H]3CC(=O)[C@@]4(C)OC[C@]3(C)[C@@]4(O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@]12COC(=O)c1ccccc1 |TLB:37:36:26.27.28:32.33,38:36:26.27.28:32.33|

Taxacin shows strong inhibitory effects on platelet aggregation induced by arachidonic acid (IC(50):21.9 microM). Taxacin can suppress the superoxide generation induced by N-formyl-methionyl-leucyl-phenylalanine (fMLP) and arachidonic acid (AA) in a concentration-dependent manner.

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