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Chemical structure of Naringenin triacetate

GC36694

Naringenin triacetate

Also known as [4-(5,7-diacetyloxy-4-oxo-2,3-dihydrochromen-2-yl)phenyl] acetate

Naringenin triacetate is a flavonoid isolated from plant, exhibits a good binding affinity with multiple crystal structures of first bromodomain BRD4 (BRD4 BD1)

ChemicalCAS3682-04-0MW398.36FormulaC21H18O8
CAS number
3682-04-0
Molecular weight
398.36
Formula
C21H18O8
Solubility
Soluble in DMSO
InChIKey
HQZXCNZZVRAEPO-UHFFFAOYSA-N
Catalogue number
GC36694
Brand
GLPBIO
Computed properties PubChem CID 14354984 · XLogP 2.2 · TPSA 105 Ų · H-bond donors 0
XLogP
2.2
TPSA
105 Ų
H-bond donors
0
H-bond acceptors
8
Rotatable bonds
7
Heavy atoms
29

SMILES CC(=O)OC1=CC=C(C=C1)C2CC(=O)C3=C(O2)C=C(C=C3OC(=O)C)OC(=O)C

Computed descriptors from PubChem (CID 14354984), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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