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Rufigallol

CAT: 0931-T26168-06Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0931-T26168-06Size:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
82-12-2
Target
ROS, Reactive Oxygen Species, Parasite
Related Pathways
Microbiology/Virology, NF-κB, Immunology/Inflammation, Metabolism
Purity
0.9996
Bioactivity
Rufigallol (AI3-00865) is an electron-deficient disk-shaped molecule with six hydroxyl groups and is a good unit for inducing the formation of DLC from non-planar AIE molecules, an anthraquinone derivative.Rufigallol induces the acquisition of DLC properties, while the introduction of TPE groups gives the molecular structure good fluorescence in the aggregated state.The remarkable synergistic in vitro antimalarial effect, in vivo with vitamin C and ketones was synergistic and showed antimalarial activity.
Smiles
O=C1C=2C(C(=O)C=3C1=CC(O)=C(O)C3O)=CC(O)=C(O)C2O
Molecular Formula
C14H8O8
Molecular Weight
304.21
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Rufigallol

Rufigallol is a hexahydroxyanthraquinone.

CAS Number82-12-2
PubChem CID65737
IUPAC Name1,2,3,5,6,7-hexahydroxyanthracene-9,10-dione
Molecular FormulaC14H8O8
Molecular Weight304.21
XLogP1.8
Topological Polar Surface Area156
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count8
Rotatable Bond Count0
Heavy Atom Count22
Formal Charge0
Complexity449
SMILES
C1=C2C(=C(C(=C1O)O)O)C(=O)C3=CC(=C(C(=C3C2=O)O)O)O
InChI
InChI=1S/C14H8O8/c15-5-1-3-7(13(21)11(5)19)10(18)4-2-6(16)12(20)14(22)8(4)9(3)17/h1-2,15-16,19-22H
InChIKey
NEIMTOOWBACOHT-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Rufigallol
CAS: 82-12-2
CID: 65737
Formula: C14H8O8
MW: 304.21
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight304.21
XLogP31.8
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count8
Rotatable Bond Count0
Exact Mass304.02191721
Monoisotopic Mass304.02191721
Topological Polar Surface Area156 Ų
Heavy Atom Count22
Formal Charge0
Complexity449
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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