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

有库存

sdf 文件

结构编辑

类似物检索

HIT ID:HIT214318002
Cas No:126906-00-1
常用名:Fasciculic acid A
IUPAC:(3S)-5-{[(1R,3aR,5aR,7R,8R,9aS,11aR)-1-[(2R,5R)-5,6-dihydroxy-6-methylheptan-2-yl]-7-hydroxy-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:(3S)-5-{[(1R,3aR,5aR,7R,8R,9aS,11aR)-1-[(2R,5R)-5,6-dihydroxy-6-methylheptan-2-yl]-7-hydroxy-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:VOAJMYUEWCGJID-SDJDHMAGSA-N

分子式:C36H60O8
分子量:620.868
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:[H][C@@]1(CC[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)C[C@@H](OC(=O)C[C@@](C)(O)CC(O)=O)[C@H](O)C(C)(C)[C@]1([H])CC3)[C@H](C)CC[C@@H](O)C(C)(C)O |c:6|
SMILES:[H][C@@]1(CC[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)C[C@@H](OC(=O)C[C@@](C)(O)CC(O)=O)[C@H](O)C(C)(C)[C@]1([H])CC3)[C@H](C)CC[C@@H](O)C(C)(C)O |c:6|

Fasciculic acid A is a calmodulin antagonist isolated from mushroom Naematoloma fasciculare.

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