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Chemical structure of Apigenin-7-glucuronide

GC35369

Apigenin-7-glucuronide

Also known as (2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[5-hydroxy-2-(4-hydroxyphenyl)-4-oxochromen-7-yl]oxyoxane-2-carboxylic acid

Apigenin-7-glucuronide could inhibit Matrix Metalloproteinases (MMP) activities, with IC50s of 12·87, 22·39, 17·52, 0·27 μM for MMP-3, MMP-8, MMP-9, MMP-13, respectively

ChemicalCAS29741-09-1MW446.36FormulaC21H18O11
CAS number
29741-09-1
Molecular weight
446.36
Formula
C21H18O11
Solubility
DMSO： 65 mg/mL (145·62 mM)
InChIKey
JBFOLLJCGUCDQP-ZFORQUDYSA-N
Catalogue number
GC35369
Brand
GLPBIO
Computed properties PubChem CID 5319484 · XLogP 0.2 · TPSA 183 Ų · H-bond donors 6
XLogP
0.2
TPSA
183 Ų
H-bond donors
6
H-bond acceptors
11
Rotatable bonds
4
Heavy atoms
32

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

Computed descriptors from PubChem (CID 5319484), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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