Name: Acanthifolicin
Rating: 5 (10 reviews)

有库存

sdf 文件

结构编辑

类似物检索

HIT ID:HIT214318252
Cas No:77739-71-0
常用名:Acanthifolicin
别名:Acanthifolic acid
IUPAC:(2R)-3-[(1S,2S,3'R,4S,6R,6'S)-4-[(2R,3E)-4-[(2R,4'aR,5R,6'S,8'R,8'aS)-8'-hydroxy-6'-[(1S,3S)-1-hydroxy-3-[(2S,3R,6S)-3-methyl-1,7-dioxaspiro[5.5]undecan-2-yl]butyl]-7'-methylidene-hexahydro-3'H-spiro[oxolane-2,2'-pyrano[3,2-b]pyran]-5-yl]but-3-en-2-yl]-3'-hydroxy-6-methyl-3-oxa-7-thiaspiro[bicyclo[4.1.0]heptane-2,2'-oxan]-6'-yl]-2-hydroxy-2-methylpropanoic acid
IUPAC:(2R)-3-[(1S,2S,3'R,4S,6R,6'S)-4-[(2R,3E)-4-[(2R,4'aR,5R,6'S,8'R,8'aS)-8'-hydroxy-6'-[(1S,3S)-1-hydroxy-3-[(2S,3R,6S)-3-methyl-1,7-dioxaspiro[5.5]undecan-2-yl]butyl]-7'-methylidene-hexahydro-3'H-spiro[oxolane-2,2'-pyrano[3,2-b]pyran]-5-yl]but-3-en-2-yl]-3'-hydroxy-6-methyl-3-oxa-7-thiaspiro[bicyclo[4.1.0]heptane-2,2'-oxan]-6'-yl]-2-hydroxy-2-methylpropanoic acid
InChI key:PBZVIYIWLYRXNM-WNFYGIPLSA-N

分子式:C44H68O13S
分子量:837.08
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:[H][C@@]12S[C@]1(C)C[C@]([H])(O[C@]21O[C@H](C[C@@](C)(O)C(O)=O)CC[C@H]1O)[C@H](C)\C=C\[C@H]1CC[C@@]2(CC[C@@]3([H])O[C@]([H])([C@@H](O)C[C@H](C)[C@@]4([H])O[C@@]5(CCCCO5)CC[C@H]4C)C(=C)[C@@H](O)[C@]3([H])O2)O1
SMILES:[H][C@@]12S[C@]1(C)C[C@]([H])(O[C@]21O[C@H](C[C@@](C)(O)C(O)=O)CC[C@H]1O)[C@H](C)\C=C\[C@H]1CC[C@@]2(CC[C@@]3([H])O[C@]([H])([C@@H](O)C[C@H](C)[C@@]4([H])O[C@@]5(CCCCO5)CC[C@H]4C)C(=C)[C@@H](O)[C@]3([H])O2)O1

Acanthifolicin, an okadaic acid derivative, has been shown top inhibit protein phosphatase 1 with an IC50= 20 nM (similar to that of okadaic acid at 19 nM).

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