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Chemical structure of Isoscoparin

GC69297

Isoscoparin

Also known as 5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-6-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]chromen-4-one

Isoscoparin is a natural flavonoid that can be isolated from Gentiana algida Pall· It has antioxidant activity

ChemicalCAS20013-23-4MW462.4FormulaC22H22O11
CAS number
20013-23-4
Molecular weight
462.4
Formula
C22H22O11
InChIKey
KOMUHHCFAXYRPO-DGHBBABESA-N
Catalogue number
GC69297
Brand
GLPBIO
Computed properties PubChem CID 442611 · XLogP 0.2 · TPSA 186 Ų · H-bond donors 7
XLogP
0.2
TPSA
186 Ų
H-bond donors
7
H-bond acceptors
11
Rotatable bonds
4
Heavy atoms
33

SMILES COC1=C(C=CC(=C1)C2=CC(=O)C3=C(O2)C=C(C(=C3O)[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O)O

Computed descriptors from PubChem (CID 442611), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

Ordering in Israel

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