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Chemical structure of (+)-Glaucarubinone

GC74247

(+)-Glaucarubinone

Also known as [(1S,5R,6R,7S,8R,11R,13S,17S,18S,19R)-4,5,17-trihydroxy-6,14,18-trimethyl-9,16-dioxo-3,10-dioxapentacyclo[9.8.0.01,7.04,19.013,18]nonadec-14-en-8-yl] (2S)-2-hydroxy-2-methylbutanoate

(+)-Glaucarubinone is a potent AP-1 (activator protein-1) inhibitor with an EC50 value of 0·13 µM

ChemicalCAS1259-86-5MW494.53FormulaC25H34O10
CAS number
1259-86-5
Molecular weight
494.53
Formula
C25H34O10
InChIKey
WRBGCYVAJRRQKP-OKWDTJBHSA-N
Catalogue number
GC74247
Brand
GLPBIO
Computed properties PubChem CID 280687 · XLogP 0.1 · TPSA 160 Ų · H-bond donors 4
XLogP
0.1
TPSA
160 Ų
H-bond donors
4
H-bond acceptors
10
Rotatable bonds
4
Heavy atoms
35

SMILES CC[C@@](C)(C(=O)O[C@@H]1[C@H]2[C@H]([C@H](C3([C@H]4[C@@]2(CO3)[C@@H](C[C@@H]5[C@@]4([C@@H](C(=O)C=C5C)O)C)OC1=O)O)O)C)O

Computed descriptors from PubChem (CID 280687), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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