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Chemical structure of Deoxyelephantopin

GC60129

Deoxyelephantopin

Also known as [(3S,9E)-10-methyl-5-methylidene-6,14-dioxo-7,13-dioxatricyclo[10.2.1.04,8]pentadeca-1(15),9-dien-3-yl] 2-methylprop-2-enoate

Deoxyelephantopin, a natural bioactive sesquiterpene lactone from Elephantopus scaber, has shown promising anticancer effects against a broad spectrum of cancers· Deoxyelephantopin inhibits NF-κB, MAPK, PI3K/Akt, and β-catenin signaling

ChemicalCAS29307-03-7MW344.36FormulaC19H20O6
CAS number
29307-03-7
Molecular weight
344.36
Formula
C19H20O6
InChIKey
JMUOPRSXUVOHFE-OCWKYTTHSA-N
Catalogue number
GC60129
Brand
GLPBIO
Computed properties PubChem CID 5358527 · XLogP 2.4 · TPSA 78.9 Ų · H-bond donors 0
XLogP
2.4
TPSA
78.9 Ų
H-bond donors
0
H-bond acceptors
6
Rotatable bonds
3
Heavy atoms
25

SMILES C/C/1=C\C2C([C@H](CC3=CC(C1)OC3=O)OC(=O)C(=C)C)C(=C)C(=O)O2

Computed descriptors from PubChem (CID 5358527), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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