Name: Bryostatin 1
Rating: 5 (10 reviews)

有库存

sdf 文件

结构编辑

类似物检索

HIT ID:HIT212708309
Cas No:83314-01-6
常用名:Bryostatin 1
别名:苔藓抑素1
IUPAC:(1S,3S,5Z,7R,8Z,11S,12S,13E,15S,17S,21R,23R,25S)-25-(acetyloxy)-1,11,21-trihydroxy-17-[(1R)-1-hydroxyethyl]-5,13-bis(2-methoxy-2-oxoethylidene)-10,10,26,26-tetramethyl-19-oxo-18,27,28,29-tetraoxatetracyclo[21.3.1.1^{3,7}.1^{11,15}]nonacos-8-en-12-yl (2E,4E)-octa-2,4-dienoate
IUPAC:(1S,3S,5Z,7R,8Z,11S,12S,13E,15S,17S,21R,23R,25S)-25-(acetyloxy)-1,11,21-trihydroxy-17-[(1R)-1-hydroxyethyl]-5,13-bis(2-methoxy-2-oxoethylidene)-10,10,26,26-tetramethyl-19-oxo-18,27,28,29-tetraoxatetracyclo[21.3.1.1^{3,7}.1^{11,15}]nonacos-8-en-12-yl (2E,4E)-octa-2,4-dienoate
InChI key:MJQUEDHRCUIRLF-MEBWOBETSA-N

分子式:C47H68O17
分子量:905.044
氢键供体数 (HBD):4
氢键受体数 (HBA):12
LogP:5.0399904
SMILES:[H][C@]12C[C@H](OC(C)=O)C(C)(C)[C@](O)(C[C@]3([H])C\C(C[C@@]([H])(O3)\C=C/C(C)(C)[C@]3(O)O[C@@]([H])(C\C(=C/C(=O)OC)[C@@H]3OC(=O)\C=C\C=C\CCC)C[C@@]([H])(OC(=O)C[C@H](O)C1)[C@@H](C)O)=C\C(=O)OC)O2 |c:23|
SMILES:[H][C@]12C[C@H](OC(C)=O)C(C)(C)[C@](O)(C[C@]3([H])C\C(C[C@@]([H])(O3)\C=C/C(C)(C)[C@]3(O)O[C@@]([H])(C\C(=C/C(=O)OC)[C@@H]3OC(=O)\C=C\C=C\CCC)C[C@@]([H])(OC(=O)C[C@H](O)C1)[C@@H](C)O)=C\C(=O)OC)O2 |c:23|

Bryostatin 1 is a natural macrolide isolated from the bryozoan Bugula neritina and is a CNS)permeable PKC modulator. Bryostatin 1 binds to the isolated C1 domain of Munc13-1 and the full-length Munc13-1 protein (Kis: 8.07 nM and 0.45 nM).

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