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Rubinaphthin A

CAT: 0804-HY-N8024-02Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-N8024-02Size:5 mg
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Description
Rubinaphthin A is a naphthohydroquinone that can be found in the roots of Rubia yunnanensis. Rubinaphthin A exhibits inhibitory activity against tobacco mosaic virus (TMV) [1][2].
CAS Number
448962-05-8
UNSPSC
12352005
Target
TMV
Type
Natural Products
Related Pathways
Anti-infection
Applications
COVID-19-anti-virus
Field of Research
Infection
Assay Protocol
https://www.medchemexpress.com/rubinaphthin-a.html
Purity
99.72
Smiles
O=C(C1=CC(O[C@H]2[C@@H]([C@H]([C@@H]([C@@H](CO)O2)O)O)O)=C3C=CC=CC3=C1O)O
Molecular Formula
C17H18O9
Molecular Weight
366.32
References & Citations
[1]Liou MJ, et, al. Constituents of the roots of Rubia yunnanensis. Chem Pharm Bull (Tokyo) . 2002 Feb;50 (2) :276-9.|[2]Shen S, et, al. A novel and other bioactive secondary metabolites from a marine fungus Penicillium oxalicum 0312F1. Nat Prod Res. 2013;27 (24) :2286-91.
Shipping Conditions
Blue Ice
Storage Conditions
-20°C, 3 years (Powder)
Scientific Category
Natural Products
Clinical Information
No Development Reported

Chemical Information

Npc261141

Rubinaphthin A has been reported in Rubia yunnanensis with data available.

CAS Number448962-05-8
PubChem CID11760306
IUPAC Name1-hydroxy-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxynaphthalene-2-carboxylic acid
Molecular FormulaC17H18O9
Molecular Weight366.3
XLogP0.7
Topological Polar Surface Area157
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count9
Rotatable Bond Count4
Heavy Atom Count26
Formal Charge0
Complexity501
SMILES
C1=CC=C2C(=C1)C(=CC(=C2O)C(=O)O)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O
InChI
InChI=1S/C17H18O9/c18-6-11-13(20)14(21)15(22)17(26-11)25-10-5-9(16(23)24)12(19)8-4-2-1-3-7(8)10/h1-5,11,13-15,17-22H,6H2,(H,23,24)/t11-,13-,14+,15-,17-/m1/s1
InChIKey
SGTNXGSCHXKQJX-OQAPJDJNSA-N
Chemical Structure
2D Structure
2D structure of Npc261141
CAS: 448962-05-8
CID: 11760306
Formula: C17H18O9
MW: 366.3
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight366.3
XLogP30.7
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count9
Rotatable Bond Count4
Exact Mass366.09508215
Monoisotopic Mass366.09508215
Topological Polar Surface Area157 Ų
Heavy Atom Count26
Formal Charge0
Complexity501
Isotope Atom Count0
Defined Atom Stereocenter Count5
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
AB2525Rubinaphthin A

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