Genistein, O,O'-bis(acetyl)-

Details

• Internal ID: b12cef4c-4565-4149-b201-f8c3404fb481
• Taxonomy: Phenylpropanoids and polyketides > Isoflavonoids > Isoflav-2-enes > Isoflavones
• IUPAC Name: [4-(7-acetyloxy-5-hydroxy-4-oxochromen-3-yl)phenyl] acetate
• SMILES (Canonical): CC(=O)OC1=CC=C(C=C1)C2=COC3=CC(=CC(=C3C2=O)O)OC(=O)C
• SMILES (Isomeric): CC(=O)OC1=CC=C(C=C1)C2=COC3=CC(=CC(=C3C2=O)O)OC(=O)C
• InChI: InChI=1S/C19H14O7/c1-10(20)25-13-5-3-12(4-6-13)15-9-24-17-8-14(26-11(2)21)7-16(22)18(17)19(15)23/h3-9,22H,1-2H3
• InChI Key: LANSIWZTDAKDFI-UHFFFAOYSA-N
• Popularity: 0 references in papers

Physical and Chemical Properties

• Molecular Formula: C₁₉H₁₄O₇
• Molecular Weight: 354.30 g/mol
• Exact Mass: 354.07395278 g/mol
• Topological Polar Surface Area (TPSA): 99.10 Ų
• XlogP: 2.90

Synonyms

• CHEMBL2261220
• Genistein, O,O'-bis(acetyl)-
• LANSIWZTDAKDFI-UHFFFAOYSA-N
• DTXSID601156769
• 4',7-DIACETOXY-5-HYDROXYGENISTEIN
• 4-[7-(Acetyloxy)-5-hydroxy-4-oxo-4H-1-benzopyran-3-yl]phenyl acetate
• 7-(Acetyloxy)-3-[4-(acetyloxy)phenyl]-5-hydroxy-4H-1-benzopyran-4-one

2D Structure

ADMET Properties (via admetSAR 2)

Target	Value	Probability (raw)	Probability (%)
No predicted properties yet!

Targets

Proven Targets:

No proven targets yet!

Predicted Targets (via Super-PRED):

CHEMBL ID	UniProt ID	Name	Probability	Model accuracy
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	98.70%	91.11%
CHEMBL2581	P07339	Cathepsin D	97.64%	98.95%
CHEMBL1806	P11388	DNA topoisomerase II alpha	93.71%	89.00%
CHEMBL2635	P51452	Dual specificity protein phosphatase 3	92.93%	94.00%
CHEMBL1293249	Q13887	Kruppel-like factor 5	92.25%	86.33%
CHEMBL1860	P10827	Thyroid hormone receptor alpha	91.99%	99.15%
CHEMBL3060	Q9Y345	Glycine transporter 2	89.69%	99.17%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	89.48%	95.56%
CHEMBL5339	Q5NUL3	G-protein coupled receptor 120	86.29%	95.78%
CHEMBL3922	P50579	Methionine aminopeptidase 2	86.21%	97.28%
CHEMBL1929	P47989	Xanthine dehydrogenase	84.72%	96.12%
CHEMBL4016	P42262	Glutamate receptor ionotropic, AMPA 2	84.13%	86.92%
CHEMBL4208	P20618	Proteasome component C5	83.04%	90.00%
CHEMBL5409	Q8TDU6	G-protein coupled bile acid receptor 1	82.95%	93.65%
CHEMBL3038477	P67870	Casein kinase II alpha/beta	82.64%	99.23%
CHEMBL5845	P23415	Glycine receptor subunit alpha-1	82.49%	90.71%
CHEMBL3194	P02766	Transthyretin	82.01%	90.71%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	81.05%	96.09%

Plants that contains it

• Laburnum alpinum

Cross-Links

• PubChem: 12109569
• LOTUS: LTS0206366
• wikiData: Q105148773