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Chemical structure of Rubinaphthin A

GC69840

Rubinaphthin A

Also known as 1-hydroxy-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxynaphthalene-2-carboxylic acid

Rubinaphthin A is a naphthoquinone found in the roots of Rubia yunnanensis· It has inhibitory activity against Tobacco mosaic virus (TMV)

ChemicalCAS448962-05-8MW366.32FormulaC17H18O9
CAS number
448962-05-8
Molecular weight
366.32
Formula
C17H18O9
InChIKey
SGTNXGSCHXKQJX-OQAPJDJNSA-N
Catalogue number
GC69840
Brand
GLPBIO
Computed properties PubChem CID 11760306 · XLogP 0.7 · TPSA 157 Ų · H-bond donors 6
XLogP
0.7
TPSA
157 Ų
H-bond donors
6
H-bond acceptors
9
Rotatable bonds
4
Heavy atoms
26

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

Computed descriptors from PubChem (CID 11760306), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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