Name: Chlorahololide C
Rating: 5 (10 reviews)

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结构编辑

类似物检索

HIT ID:HIT213884875
Cas No:1007859-25-7
常用名:Chlorahololide C
IUPAC:methyl 2-[(2S,7R,8S,10S,12R,13S,14S,16S,17S,19R,20S,21R,23Z)-7-(acetyloxy)-16,21-dihydroxy-5,13,20-trimethyl-9-methylidene-4,22-dioxo-3-oxaoctacyclo[14.7.1.0^{2,6}.0^{2,14}.0^{8,13}.0^{10,12}.0^{17,19}.0^{20,24}]tetracosa-1(24),5-dien-23-ylidene]propanoate
IUPAC:methyl 2-[(2S,7R,8S,10S,12R,13S,14S,16S,17S,19R,20S,21R,23Z)-7-(acetyloxy)-16,21-dihydroxy-5,13,20-trimethyl-9-methylidene-4,22-dioxo-3-oxaoctacyclo[14.7.1.0^{2,6}.0^{2,14}.0^{8,13}.0^{10,12}.0^{17,19}.0^{20,24}]tetracosa-1(24),5-dien-23-ylidene]propanoate
InChI key:FUWHPWXSVUDXDS-XMJAEXKHSA-N

分子式:C33H36O9
分子量:576.642
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:COC(=O)C(\C)=C1/C(=O)[C@H](O)[C@@]2(C)[C@@H]3C[C@@H]3[C@@]3(O)C[C@H]4[C@@]5(C)[C@@H]6C[C@@H]6C(=C)[C@@H]5[C@@H](OC(C)=O)C5=C(C)C(=O)O[C@]45C1=C23 |c:36,46|
SMILES:COC(=O)C(\C)=C1/C(=O)[C@H](O)[C@@]2(C)[C@@H]3C[C@@H]3[C@@]3(O)C[C@H]4[C@@]5(C)[C@@H]6C[C@@H]6C(=C)[C@@H]5[C@@H](OC(C)=O)C5=C(C)C(=O)O[C@]45C1=C23 |c:36,46|

Chlorahololide C is a potent and selective potassium channel blocker, it exerts potent and selective inhibition on the delayed rectifier (I(K)) K(+) current with the IC(50) value of 3.6 +/- 10.1 mu M.

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