Name: 10-Deacetylcephalomannine
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HIT ID:HIT218643231
Cas No:
Common Name: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
InChIKey:ADDGUHVEJPNWQZ-UHFFFAOYSA-N

Molecular Formula:C43H51NO13
Molecular Weight:789.875
Hydrogen Bond Donor (HBD):
Hydrogen Bond Acceptor (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-Deacetylcephalomannine is a naturally occurring taxane derivative isolated from Taxus wallichiana, structurally related to paclitaxel. This compound demonstrates potent cytotoxicity against KB cells (ED₅₀ in the nanomolar range) and exhibits in vivo activity against PS leukemia. Notably, 10-deacetylcephalomannine is chemically labile, readily forming an equilibrium mixture with its C-7 epimer, a feature of interest for stability and structure-activity relationship studies in natural product research.

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