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Chemical structure of Rubiadin-1-methyl ether

GC60331

Rubiadin-1-methyl ether

Also known as 3-hydroxy-1-methoxy-2-methylanthracene-9,10-dione

Rubiadin-1-methyl ether is a natural anthraquinone isolated from Morinda officinalis How, and inhibits osteoclastic bone resorption via inhibition on the phosphorylation of NF-κB p65 and the degradation of IκBα as well as decrease in the nuclear translocation of p65

ChemicalCAS7460-43-7MW268.26FormulaC16H12O4
CAS number
7460-43-7
Molecular weight
268.26
Formula
C16H12O4
Solubility
DMSO : ≥ 125 mg/mL (465·97 mM)
InChIKey
NTBUBTCXACOEEC-UHFFFAOYSA-N
Catalogue number
GC60331
Brand
GLPBIO
Computed properties PubChem CID 96191 · XLogP 2.8 · TPSA 63.6 Ų · H-bond donors 1
XLogP
2.8
TPSA
63.6 Ų
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
1
Heavy atoms
20

SMILES CC1=C(C=C2C(=C1OC)C(=O)C3=CC=CC=C3C2=O)O

Computed descriptors from PubChem (CID 96191), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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