Name: Fasciculic acid B
Rating: 5 (10 reviews)

有库存

sdf 文件

结构编辑

类似物检索

HIT ID:HIT105169508
Cas No:126882-55-1
常用名:Fasciculic acid B
IUPAC:5-{[1-(5,6-dihydroxy-6-methylheptan-2-yl)-7,11-dihydroxy-3a,6,6,9a,11a-pentamethyl-1H,2H,3H,3aH,4H,5H,5aH,6H,7H,8H,9H,9aH,10H,11H,11aH-cyclopenta[a]phenanthren-8-yl]oxy}-3-hydroxy-3-methyl-5-oxopentanoic acid
IUPAC:5-{[1-(5,6-dihydroxy-6-methylheptan-2-yl)-7,11-dihydroxy-3a,6,6,9a,11a-pentamethyl-1H,2H,3H,3aH,4H,5H,5aH,6H,7H,8H,9H,9aH,10H,11H,11aH-cyclopenta[a]phenanthren-8-yl]oxy}-3-hydroxy-3-methyl-5-oxopentanoic acid
InChI key:SWRXIGFQDQTNKP-UHFFFAOYSA-N

分子式:C36H60O9
分子量:636.867
氢键供体数 (HBD):6
氢键受体数 (HBA):8
LogP:3.177
SMILES:CC(CCC(O)C(C)(C)O)C1CCC2(C)C3=C(CC(O)C12C)C1(C)CC(OC(=O)CC(C)(O)CC(O)=O)C(O)C(C)(C)C1CC3 |c:15|
SMILES:CC(CCC(O)C(C)(C)O)C1CCC2(C)C3=C(CC(O)C12C)C1(C)CC(OC(=O)CC(C)(O)CC(O)=O)C(O)C(C)(C)C1CC3 |c:15|

Fasciculic acid B is the ester of fasciculol B and 3-hydroxy-3-methylglutaric acid. Fasciculic acid B is calmodulin antagonist from mushroom Naematoloma fasciculare.

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