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Chemical structure of Vicenin 2

GC37902

Vicenin 2

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

Vicenin 2 is an orally active angiotensin-converting enzyme (ACE) inhibitor with the IC50 value of 43·83 ± 3·01μM

ChemicalCAS23666-13-9MW594.52FormulaC27H30O15
CAS number
23666-13-9
Molecular weight
594.52
Formula
C27H30O15
Solubility
DMSO ： 33·33 mg/mL (56·06 mM; Need ultrasonic); H2O ： < 0·1 mg/mL (insoluble)
InChIKey
FIAAVMJLAGNUKW-VQVVXJKKSA-N
Catalogue number
GC37902
Brand
GLPBIO
Computed properties PubChem CID 442664 · XLogP -2.3 · TPSA 267 Ų · H-bond donors 11
XLogP
-2.3
TPSA
267 Ų
H-bond donors
11
H-bond acceptors
15
Rotatable bonds
5
Heavy atoms
42

SMILES C1=CC(=CC=C1C2=CC(=O)C3=C(C(=C(C(=C3O2)[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O)[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O)O)O

Computed descriptors from PubChem (CID 442664), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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