Name: Mycalolide B
Rating: 5 (10 reviews)

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结构编辑

类似物检索

HIT ID:HIT214322313
Cas No:122752-21-0
常用名:Mycalolide B
IUPAC:(1E,3R,4R,5S,6R,9S,10S)-4-(acetyloxy)-11-[(10S,11R,13E,16S,20S,21R,22S,24E)-16-hydroxy-10,22-dimethoxy-11,21-dimethyl-12,18-dioxo-3,7,19,27-tetraoxa-29,30,31-triazatetracyclo[24.2.1.1^{2,5}.1^{6,9}]hentriaconta-1(28),2(31),4,6(30),8,13,24,26(29)-octaen-20-yl]-10-methoxy-3,5,9-trimethyl-1-(N-methylformamido)undec-1-en-6-yl (2R)-2,3-dimethoxypropanoate
IUPAC:(1E,3R,4R,5S,6R,9S,10S)-4-(acetyloxy)-11-[(10S,11R,13E,16S,20S,21R,22S,24E)-16-hydroxy-10,22-dimethoxy-11,21-dimethyl-12,18-dioxo-3,7,19,27-tetraoxa-29,30,31-triazatetracyclo[24.2.1.1^{2,5}.1^{6,9}]hentriaconta-1(28),2(31),4,6(30),8,13,24,26(29)-octaen-20-yl]-10-methoxy-3,5,9-trimethyl-1-(N-methylformamido)undec-1-en-6-yl (2R)-2,3-dimethoxypropanoate
InChI key:ZYDMLFOHENLMIN-GTNGWFEESA-N

分子式:C52H74N4O17
分子量:1027.175
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:COC[C@@H](OC)C(=O)O[C@H](CC[C@H](C)[C@H](C[C@@H]1OC(=O)C[C@@H](O)C\C=C\C(=O)[C@H](C)[C@H](OC)c2coc(n2)-c2coc(n2)-c2coc(\C=C\C[C@H](OC)[C@H]1C)n2)OC)[C@H](C)[C@H](OC(C)=O)[C@H](C)\C=C\N(C)C=O |t:24,49|
SMILES:COC[C@@H](OC)C(=O)O[C@H](CC[C@H](C)[C@H](C[C@@H]1OC(=O)C[C@@H](O)C\C=C\C(=O)[C@H](C)[C@H](OC)c2coc(n2)-c2coc(n2)-c2coc(\C=C\C[C@H](OC)[C@H]1C)n2)OC)[C@H](C)[C@H](OC(C)=O)[C@H](C)\C=C\N(C)C=O |t:24,49|

Mycalolide-B is a marine sponge-derived compound that functions as a selective inhibitor of actomyosin ATPase. It effectively hinders ATP-induced contraction and Mg2+-ATPase activity in the absence of Ca2+.

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