Name: Dinophysistoxin 1
Rating: 5 (10 reviews)

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HIT ID:HIT217583604
Cas No:81720-10-7
常用名:Dinophysistoxin 1
别名:DTX 1
IUPAC:(2R)-3-[(2S,5R,6R,8S)-8-[(2R,3E)-4-[(2R,4'aR,5R,6'S,8'R,8'aS)-6'-[(1S,3S)-3-[(2S,3R,6R,11R)-3,11-dimethyl-1,7-dioxaspiro[5.5]undecan-2-yl]-1-hydroxybutyl]-8'-hydroxy-7'-methylidene-hexahydro-3'H-spiro[oxolane-2,2'-pyrano[3,2-b]pyran]-5-yl]but-3-en-2-yl]-5-hydroxy-10-methyl-1,7-dioxaspiro[5.5]undec-10-en-2-yl]-2-hydroxy-2-methylpropanoic acid
IUPAC:(2R)-3-[(2S,5R,6R,8S)-8-[(2R,3E)-4-[(2R,4'aR,5R,6'S,8'R,8'aS)-6'-[(1S,3S)-3-[(2S,3R,6R,11R)-3,11-dimethyl-1,7-dioxaspiro[5.5]undecan-2-yl]-1-hydroxybutyl]-8'-hydroxy-7'-methylidene-hexahydro-3'H-spiro[oxolane-2,2'-pyrano[3,2-b]pyran]-5-yl]but-3-en-2-yl]-5-hydroxy-10-methyl-1,7-dioxaspiro[5.5]undec-10-en-2-yl]-2-hydroxy-2-methylpropanoic acid
InChI key:CLBIEZBAENPDFY-HNXGFDTJSA-N

分子式:C45H70O13
分子量:819.042
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:[H][C@]1(CC(C)=C[C@@]2(O[C@H](C[C@@](C)(O)C(O)=O)CC[C@H]2O)O1)[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(CC[C@H]4C)OCCC[C@H]5C)C(=C)[C@@H](O)[C@]3([H])O2)O1
SMILES:[H][C@]1(CC(C)=C[C@@]2(O[C@H](C[C@@](C)(O)C(O)=O)CC[C@H]2O)O1)[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(CC[C@H]4C)OCCC[C@H]5C)C(=C)[C@@H](O)[C@]3([H])O2)O1

Dinophysistoxin 1 (DTX 1, 35-methylokadaic acid) 为腹泻性贝类中毒病原体，并表现出促进肿瘤活性，同时亦作为一种皮肤刺激物。

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