Name: 2,3-Dihydro-3α-methoxynimbolide
Rating: 5 (10 reviews)

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sdf 文件

结构编辑

类似物检索

HIT ID:HIT214317102
Cas No:1607828-35-2
常用名:2,3-Dihydro-3α-methoxynimbolide
IUPAC:methyl 2-[(1R,2S,4R,6R,9R,10S,11R,14R,15S,18R)-6-(furan-3-yl)-14-methoxy-7,9,11,15-tetramethyl-12,16-dioxo-3,17-dioxapentacyclo[9.6.1.0^{2,9}.0^{4,8}.0^{15,18}]octadec-7-en-10-yl]acetate
IUPAC:methyl 2-[(1R,2S,4R,6R,9R,10S,11R,14R,15S,18R)-6-(furan-3-yl)-14-methoxy-7,9,11,15-tetramethyl-12,16-dioxo-3,17-dioxapentacyclo[9.6.1.0^{2,9}.0^{4,8}.0^{15,18}]octadec-7-en-10-yl]acetate
InChI key:OROAUBFPFAPQMD-LPLKPKLGSA-N

分子式:C28H34O8
分子量:498.572
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:[H][C@@]12C[C@H](C(C)=C1[C@@]1(C)[C@H](CC(=O)OC)[C@@]3(C)C(=O)C[C@@H](OC)[C@@]4(C)C(=O)O[C@@]([H])([C@@]1([H])O2)[C@]34[H])c1ccoc1 |c:5|
SMILES:[H][C@@]12C[C@H](C(C)=C1[C@@]1(C)[C@H](CC(=O)OC)[C@@]3(C)C(=O)C[C@@H](OC)[C@@]4(C)C(=O)O[C@@]([H])([C@@]1([H])O2)[C@]34[H])c1ccoc1 |c:5|

2,3-Dihydro-3α-methoxynimbolide induces apoptosis via both mitochondrial and death receptor pathways in stomach (AZ521) cancer cell line.

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