Name: Trametenolic acid
Rating: 5 (10 reviews)

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sdf 文件

结构编辑

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HIT ID:HIT212665960
Cas No:24160-36-9
常用名:Trametenolic acid
别名:trametenolic acid B
IUPAC:(2R)-2-[(1R,3aR,5aR,7S,9aS,11aR)-7-hydroxy-3a,6,6,9a,11a-pentamethyl-1H,2H,3H,3aH,4H,5H,5aH,6H,7H,8H,9H,9aH,10H,11H,11aH-cyclopenta[a]phenanthren-1-yl]-6-methylhept-5-enoic acid
IUPAC:(2R)-2-[(1R,3aR,5aR,7S,9aS,11aR)-7-hydroxy-3a,6,6,9a,11a-pentamethyl-1H,2H,3H,3aH,4H,5H,5aH,6H,7H,8H,9H,9aH,10H,11H,11aH-cyclopenta[a]phenanthren-1-yl]-6-methylhept-5-enoic acid
InChI key:NBSBUIQBEPROBM-GIICLEHTSA-N

分子式:C30H48O3
分子量:456.711
氢键供体数 (HBD):2
氢键受体数 (HBA):3
LogP:6.642398
SMILES:[H][C@@]12[#6]-[#6]-[#6]3=[#6](-[#6]-[#6][C@]4([#6])[#6@H](-[#6]-[#6][C@@]34[#6])-[#6@@H](-[#6]-[#6]\[#6]=[#6](/[#6])-[#6])-[#6](-[#8])=O)[C@@]1([#6])[#6]-[#6]-[#6@H](-[#8])C2([#6])[#6] |t:4|
SMILES:[H][C@@]12[#6]-[#6]-[#6]3=[#6](-[#6]-[#6][C@]4([#6])[#6@H](-[#6]-[#6][C@@]34[#6])-[#6@@H](-[#6]-[#6]\[#6]=[#6](/[#6])-[#6])-[#6](-[#8])=O)[C@@]1([#6])[#6]-[#6]-[#6@H](-[#8])C2([#6])[#6] |t:4|

Trametenolic acid 是一种从某些真菌中提取的天然化合物，能够在体外抑制肿瘤细胞的增殖，并且能够通过调控 PI3K/Akt/mTOR 等信号通路来保护大脑免受缺血再灌注损伤。

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