10-Deacetylcephalomannine | AnyMole

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HIT218643231

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HIT218643231

HIT ID:HIT218643231
Cas No:
常用名:10-Deacetylcephalomannine
IUPAC:4-(acetyloxy)-1,9,12-trihydroxy-15-{[2-hydroxy-3-(2-methylbut-2-enamido)-3-phenylpropanoyl]oxy}-10,14,17,17-tetramethyl-11-oxo-6-oxatetracyclo[11.3.1.0^{3,10}.0^{4,7}]heptadec-13-en-2-yl benzoate
IUPAC:4-(acetyloxy)-1,9,12-trihydroxy-15-{[2-hydroxy-3-(2-methylbut-2-enamido)-3-phenylpropanoyl]oxy}-10,14,17,17-tetramethyl-11-oxo-6-oxatetracyclo[11.3.1.0^{3,10}.0^{4,7}]heptadec-13-en-2-yl benzoate
InChI key:ADDGUHVEJPNWQZ-UHFFFAOYSA-N

分子式:C43H51NO13
分子量:789.875
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:CC=C(C)C(=O)NC(C(O)C(=O)OC1CC2(O)C(OC(=O)c3ccccc3)C3C4(COC4CC(O)C3(C)C(=O)C(O)C(=C1C)C2(C)C)OC(C)=O)c1ccccc1
SMILES:CC=C(C)C(=O)NC(C(O)C(=O)OC1CC2(O)C(OC(=O)c3ccccc3)C3C4(COC4CC(O)C3(C)C(=O)C(O)C(=C1C)C2(C)C)OC(C)=O)c1ccccc1

10-Deacetylcephalomannin exhibits activity against PS leukemia in vivo; however, its instability leads to an equilibrium mixture with its cytotoxic C-7 epimer. Additionally, 10-Deacetylcephalomannine demonstrates growth inhibitory effects on human cancer cell lines, including cervical HeLa adenocarcinoma.

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