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Chemical structure of Bigelovin

GC60076

Bigelovin

Also known as [(3aS,5R,5aR,8aR,9S,9aR)-5,8a-dimethyl-1-methylidene-2,8-dioxo-3a,4,5,5a,9,9a-hexahydroazuleno[6,5-b]furan-9-yl] acetate

Bigelovin, a sesquiterpene lactone isolated from Inula helianthus-aquatica, is a selective retinoid X receptor α agonist· Bigelovin suppresses tumor growth through inducing apoptosis and autophagy via the inhibition of mTOR pathway regulated by ROS generation

ChemicalCAS3668-14-2MW304.34FormulaC17H20O5
CAS number
3668-14-2
Molecular weight
304.34
Formula
C17H20O5
InChIKey
DCNRYQODUSSOKC-MMLVVLEOSA-N
Catalogue number
GC60076
Brand
GLPBIO
Computed properties PubChem CID 3080597 · XLogP 2 · TPSA 69.7 Ų · H-bond donors 0
XLogP
2
TPSA
69.7 Ų
H-bond donors
0
H-bond acceptors
5
Rotatable bonds
2
Heavy atoms
22

SMILES C[C@@H]1C[C@H]2[C@H]([C@@H]([C@]3([C@H]1C=CC3=O)C)OC(=O)C)C(=C)C(=O)O2

Computed descriptors from PubChem (CID 3080597), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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