Name: Phallacidin
Rating: 5 (10 reviews)

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sdf 文件

结构编辑

类似物检索

HIT ID:HIT214323670
Cas No:26645-35-2
常用名:Phallacidin
别名:羧基二羟鬼笔毒肽
IUPAC:(2S)-2-[(1S,14R,18S,20S,23S,28S,31S,34R)-28-(2,3-dihydroxy-2-methylpropyl)-18-hydroxy-23-methyl-15,21,24,26,29,32,35-heptaoxo-31-(propan-2-yl)-12-thia-10,16,22,25,27,30,33,36-octaazapentacyclo[12.11.11.0^{3,11}.0^{4,9}.0^{16,20}]hexatriaconta-3(11),4,6,8-tetraen-34-yl]-2-hydroxyacetic acid
IUPAC:(2S)-2-[(1S,14R,18S,20S,23S,28S,31S,34R)-28-(2,3-dihydroxy-2-methylpropyl)-18-hydroxy-23-methyl-15,21,24,26,29,32,35-heptaoxo-31-(propan-2-yl)-12-thia-10,16,22,25,27,30,33,36-octaazapentacyclo[12.11.11.0^{3,11}.0^{4,9}.0^{16,20}]hexatriaconta-3(11),4,6,8-tetraen-34-yl]-2-hydroxyacetic acid
InChI key:KUBDTFZQCYLLGC-AASPPYRUSA-N

分子式:C37H50N8O13S
分子量:846.91
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:[H][C@@]12C[C@H](O)CN1C(=O)[C@]1([H])CSc3[nH]c4ccccc4c3C[C@]([H])(NC(=O)[C@H](C)NC2=O)C(=O)N[C@@H](CC(C)(O)CO)C(=O)N[C@@H](C(C)C)C(=O)N[C@]([H])([C@H](O)C(O)=O)C(=O)N1
SMILES:[H][C@@]12C[C@H](O)CN1C(=O)[C@]1([H])CSc3[nH]c4ccccc4c3C[C@]([H])(NC(=O)[C@H](C)NC2=O)C(=O)N[C@@H](CC(C)(O)CO)C(=O)N[C@@H](C(C)C)C(=O)N[C@]([H])([C@H](O)C(O)=O)C(=O)N1

Phallacidin, a phallotoxin family member, targets and binds to F-actin in mushroom toxins.

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