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

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sdf 文件

结构编辑

类似物检索

HIT ID:HIT214318001
Cas No:126882-56-2
常用名:Fasciculic acid C
IUPAC:2-[(3S)-5-{[(1R,3aS,5aR,7R,8R,9aS,11S,11aR)-8,11-dihydroxy-3a,6,6,9a,11a-pentamethyl-1-[(2R,5R)-1,5,6-trihydroxy-6-methylheptan-2-yl]-1H,2H,3H,3aH,4H,5H,5aH,6H,7H,8H,9H,9aH,10H,11H,11aH-cyclopenta[a]phenanthren-7-yl]oxy}-3-hydroxy-3-methyl-5-oxopentanamido]acetic acid
IUPAC:2-[(3S)-5-{[(1R,3aS,5aR,7R,8R,9aS,11S,11aR)-8,11-dihydroxy-3a,6,6,9a,11a-pentamethyl-1-[(2R,5R)-1,5,6-trihydroxy-6-methylheptan-2-yl]-1H,2H,3H,3aH,4H,5H,5aH,6H,7H,8H,9H,9aH,10H,11H,11aH-cyclopenta[a]phenanthren-7-yl]oxy}-3-hydroxy-3-methyl-5-oxopentanamido]acetic acid
InChI key:IOMBMOCSWVAYQU-ZLHZNRRGSA-N

分子式:C38H63NO11
分子量:709.918
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:[H][C@@]1(CC[C@@]2(C)C3=C(C[C@H](O)[C@]12C)[C@@]1(C)C[C@@H](O)[C@H](OC(=O)C[C@@](C)(O)CC(=O)NCC(O)=O)C(C)(C)[C@]1([H])CC3)[C@H](CO)CC[C@@H](O)C(C)(C)O |c:6|
SMILES:[H][C@@]1(CC[C@@]2(C)C3=C(C[C@H](O)[C@]12C)[C@@]1(C)C[C@@H](O)[C@H](OC(=O)C[C@@](C)(O)CC(=O)NCC(O)=O)C(C)(C)[C@]1([H])CC3)[C@H](CO)CC[C@@H](O)C(C)(C)O |c:6|

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

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