Cinobufaginol
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Cinobufaginol
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CAS No:
6691-83-4
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Formula:
C26H34O7
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Chemical Name:
Cinobufaginol
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Synonyms:
Cinobufaginol;5beta-Bufa-20,22-dienolide, 14,15beta-epoxy-3beta,16beta,19-trihydroxy-, 16-acetate;[(1R,2S,4R,5R,6R,7R,10S,11R,14S,16R)-14-hydroxy-11-(hydroxymethyl)-7-methyl-6-(6-oxopyran-3-yl)-3-oxapentacyclo[8.8.0.02,4.02,7.011,16]octadecan-5-yl] acetate
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CAS No:
Description
Cinobufaginol is a natural bufadienolide isolated from toad venom which has been widely used for centuries in China to treat different diseases, especially for cancer. Cinobufaginol potently inhibits the activity against human nasopharyngeal carcinoma cell lines with IC50s of 803 μΜ and 1.270 μΜ for CNE-1 and CNE-2Z, respectively[1].
Computed Properties
Molecular Weight:458.5
XLogP3:2.1
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:4
Exact Mass:458.23045342
Monoisotopic Mass:458.23045342
Topological Polar Surface Area:106
Heavy Atom Count:33
Complexity:941
Defined Atom Stereocenter Count:10
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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