Name: Digitoxigenin
Rating: 5 (10 reviews)

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sdf 文件

结构编辑

类似物检索

HIT ID:HIT212709704
Cas No:143-62-4
常用名:Digitoxigenin
别名:Thevetigenin, Echujetin, Digitoxigenine, Cerberigenin
别名:Thevetigenin, Echujetin, Digitoxigenine, Cerberigenin
IUPAC:4-[(1R,3aS,3bR,5aR,7S,9aS,9bS,11aR)-3a,7-dihydroxy-9a,11a-dimethyl-hexadecahydro-1H-cyclopenta[a]phenanthren-1-yl]-2,5-dihydrofuran-2-one
IUPAC:4-[(1R,3aS,3bR,5aR,7S,9aS,9bS,11aR)-3a,7-dihydroxy-9a,11a-dimethyl-hexadecahydro-1H-cyclopenta[a]phenanthren-1-yl]-2,5-dihydrofuran-2-one
InChI key:XZTUSOXSLKTKJQ-CESUGQOBSA-N

分子式:C23H34O4
分子量:374.521
氢键供体数 (HBD):2
氢键受体数 (HBA):3
LogP:3.0673547
SMILES:[H][C@]12CC[C@]3([H])[C@]([H])(CC[C@]4(C)[C@H](CC[C@]34O)C3=CC(=O)OC3)[C@@]1(C)CC[C@H](O)C2 |t:19|
SMILES:[H][C@]12CC[C@]3([H])[C@]([H])(CC[C@]4(C)[C@H](CC[C@]34O)C3=CC(=O)OC3)[C@@]1(C)CC[C@H](O)C2 |t:19|

Digitoxigenin is a precursor of cardiac glycosides that acts by targeting the metastatic uveal melanoma gene signature.

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