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Rubiadin-1-methyl ether

CAT: 0804-HY-N1956-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-N1956-01Size:1 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
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[1].
CAS Number
7460-43-7
UNSPSC
12352005
Hazard Statement
H302, H351
Target
NF-κB
Type
Natural Products
Related Pathways
NF-κB
Applications
Metabolism-protein/nucleotide metabolism
Field of Research
Metabolic Disease
Assay Protocol
https://www.medchemexpress.com/rubiadin-1-methyl-ether.html
Purity
98.57
Solubility
DMSO : ≥ 125 mg/mL
Smiles
O=C1C2=C(C=CC=C2)C(C3=CC(O)=C(C)C(OC)=C13)=O
Molecular Formula
C16H12O4
Molecular Weight
268.26
Precautions
H302, H351
References & Citations
[1]He YQ, et al. Rubiadin-1-methyl ether from Morinda officinalis How. Inhibits osteoclastogenesis through blocking RANKL-induced NF-κB pathway. Biochem Biophys Res Commun. 2018 Dec 2;506 (4) :927-931.
Shipping Conditions
Room Temperature
Storage Conditions
-20°C, 3 years; 4°C, 2 years (Powder)
Scientific Category
Natural Products
Clinical Information
No Development Reported
Isoform
RelA/p65

Chemical Information

Rubiadin 1-methyl ether

Rubiadin 1-methyl ether has been reported in Hymenodictyon orixense, Coelospermum paniculatum, and other organisms with data available.

CAS Number7460-43-7
PubChem CID96191
IUPAC Name3-hydroxy-1-methoxy-2-methylanthracene-9,10-dione
Molecular FormulaC16H12O4
Molecular Weight268.26
XLogP2.8
Topological Polar Surface Area63.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count1
Heavy Atom Count20
Formal Charge0
Complexity419
SMILES
CC1=C(C=C2C(=C1OC)C(=O)C3=CC=CC=C3C2=O)O
InChI
InChI=1S/C16H12O4/c1-8-12(17)7-11-13(16(8)20-2)15(19)10-6-4-3-5-9(10)14(11)18/h3-7,17H,1-2H3
InChIKey
NTBUBTCXACOEEC-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Rubiadin 1-methyl ether
CAS: 7460-43-7
CID: 96191
Formula: C16H12O4
MW: 268.26
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight268.26
XLogP32.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count1
Exact Mass268.07355886
Monoisotopic Mass268.07355886
Topological Polar Surface Area63.6 Ų
Heavy Atom Count20
Formal Charge0
Complexity419
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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