Name: Cimiside E
Rating: 5 (10 reviews)

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sdf 文件

结构编辑

类似物检索

HIT ID:HIT214315718
Cas No:154822-57-8
常用名:Cimiside E
IUPAC:(2S,3R,4S,5R)-2-{[(1S,2R,3S,4R,7R,9S,12R,14S,17R,18R,19R,21R,22S)-2-hydroxy-3,8,8,17,19-pentamethyl-22-(prop-1-en-2-yl)-23,24-dioxaheptacyclo[19.2.1.0^{1,18}.0^{3,17}.0^{4,14}.0^{7,12}.0^{12,14}]tetracosan-9-yl]oxy}oxane-3,4,5-triol
IUPAC:(2S,3R,4S,5R)-2-{[(1S,2R,3S,4R,7R,9S,12R,14S,17R,18R,19R,21R,22S)-2-hydroxy-3,8,8,17,19-pentamethyl-22-(prop-1-en-2-yl)-23,24-dioxaheptacyclo[19.2.1.0^{1,18}.0^{3,17}.0^{4,14}.0^{7,12}.0^{12,14}]tetracosan-9-yl]oxy}oxane-3,4,5-triol
InChI key:CVBALRXHSITZGC-VLHBPTQJSA-N

分子式:C35H54O8
分子量:602.809
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:[H][C@]12[C@H](C)C[C@H]3O[C@@]1(O[C@H]3C(C)=C)[C@H](O)[C@@]1(C)[C@]3([H])CC[C@]4([H])[C@]5(C[C@@]35CC[C@]21C)CC[C@H](O[C@@H]1OC[C@@H](O)[C@H](O)[C@H]1O)C4(C)C
SMILES:[H][C@]12[C@H](C)C[C@H]3O[C@@]1(O[C@H]3C(C)=C)[C@H](O)[C@@]1(C)[C@]3([H])CC[C@]4([H])[C@]5(C[C@@]35CC[C@]21C)CC[C@H](O[C@@H]1OC[C@@H](O)[C@H](O)[C@H]1O)C4(C)C

Cimiside E has anti-inflammatory activity, it selectively inhibits TNF-α-induced expression of VCAM-1 at least by upregulation of PPAR-γ, and signals for ERK1/2, PI3K, and PKC are involved in this effect.Cimiside E may be an effective chemopreventive agent against cancer, it arrests cell cycle and induces cell apoptosis in gastric cancer cells.

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