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Chemical structure of Isodeoxyelephantopin

GC39109

Isodeoxyelephantopin

Also known as [(3S,4R,8R,9Z,12S)-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

Isodeoxyelephantopin is a sesquiterpene lactone isolated from Elephantopus scaber· Isodeoxyelephantopin induces ROS generation, suppresses NF-κB activation· Isodeoxyelephantopin also modulates LncRNA expression and exhibit activities against breast cancer

ChemicalCAS38927-54-7MW344.36FormulaC19H20O6
CAS number
38927-54-7
Molecular weight
344.36
Formula
C19H20O6
Solubility
Soluble in DMSO
InChIKey
JMUOPRSXUVOHFE-VTXNWFHJSA-N
Catalogue number
GC39109
Brand
GLPBIO
Computed properties PubChem CID 92982622 · 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/[C@@H]2[C@@H]([C@H](CC3=C[C@H](C1)OC3=O)OC(=O)C(=C)C)C(=C)C(=O)O2

Computed descriptors from PubChem (CID 92982622), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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