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Chemical structure of Vicenin 3

GC37903

Vicenin 3

Also known as 5,7-dihydroxy-2-(4-hydroxyphenyl)-6-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-8-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]chromen-4-one

Vicenin 3 is an angiotensin-converting enzyme (ACE) inhibitor (IC50=46·91 μM) from the aerial parts of Desmodium styracifolium

ChemicalCAS59914-91-9MW564.49FormulaC26H28O14
CAS number
59914-91-9
Molecular weight
564.49
Formula
C26H28O14
Solubility
DMSO ： 100 mg/mL (177·15 mM; Need ultrasonic)
InChIKey
MMDUKUSNQNWVET-MCIQUCDDSA-N
Catalogue number
GC37903
Brand
GLPBIO
Computed properties PubChem CID 185958 · XLogP -2.2 · TPSA 247 Ų · H-bond donors 10
XLogP
-2.2
TPSA
247 Ų
H-bond donors
10
H-bond acceptors
14
Rotatable bonds
4
Heavy atoms
40

SMILES C1[C@H]([C@@H]([C@H]([C@@H](O1)C2=C3C(=C(C(=C2O)[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O)C(=O)C=C(O3)C5=CC=C(C=C5)O)O)O)O

Computed descriptors from PubChem (CID 185958), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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