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Chemical structure of Taccalonolide B

GC37717

Taccalonolide B

Also known as [(1S,2S,3R,5S,7S,9S,10R,11R,12S,13S,14R,15R,16S,17S,22S,23S,24R,25R)-10,14-diacetyloxy-3,22,25-trihydroxy-11,15,17,22,23-pentamethyl-4,21-dioxo-8,20-dioxaheptacyclo[13.10.0.02,12.05,11.07,9.016,24.019,23]pentacos-18-en-13-yl] acetate

Taccalonolide B is microtubule stabilizer isolated from Tacca plantaginea, with antitumor activity· Taccalonolide B is effective in vitro against cell lines that overexpress P-glycoprotein (Pgp) and multidrug-resistance protein (MRP7)· Taccalonolide B inhibits growth of SK-OV-3 cells with an IC50 of 208 nM

ChemicalCAS108885-69-4MW660.71FormulaC34H44O13
CAS number
108885-69-4
Molecular weight
660.71
Formula
C34H44O13
Solubility
Soluble in DMSO
InChIKey
FFQOXBQSZPYHSA-MPOUNFKCSA-N
Catalogue number
GC37717
Brand
GLPBIO
Computed properties PubChem CID 56662029 · XLogP 1.1 · TPSA 195 Ų · H-bond donors 3
XLogP
1.1
TPSA
195 Ų
H-bond donors
3
H-bond acceptors
13
Rotatable bonds
6
Heavy atoms
47

SMILES C[C@@H]1C=C2[C@@]([C@H]3[C@H]1[C@@]4([C@@H]([C@H]3O)[C@H]5[C@H]([C@@H]([C@@H]4OC(=O)C)OC(=O)C)[C@@]6([C@H](C[C@H]7[C@@H]([C@@H]6OC(=O)C)O7)C(=O)[C@@H]5O)C)C)([C@](C(=O)O2)(C)O)C

Computed descriptors from PubChem (CID 56662029), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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