6-Hydroxy-5-methoxy-2-(4-methoxyphenyl)-2,3-dihydrochromen-4-one

Details

• Internal ID: 9a8548b2-1b57-491d-bc50-7dc5049dfe7c
• Taxonomy: Phenylpropanoids and polyketides > Flavonoids > O-methylated flavonoids > 5-O-methylated flavonoids
• IUPAC Name: 6-hydroxy-5-methoxy-2-(4-methoxyphenyl)-2,3-dihydrochromen-4-one
• SMILES (Canonical): COC1=CC=C(C=C1)C2CC(=O)C3=C(O2)C=CC(=C3OC)O
• SMILES (Isomeric): COC1=CC=C(C=C1)C2CC(=O)C3=C(O2)C=CC(=C3OC)O
• InChI: InChI=1S/C17H16O5/c1-20-11-5-3-10(4-6-11)15-9-13(19)16-14(22-15)8-7-12(18)17(16)21-2/h3-8,15,18H,9H2,1-2H3
• InChI Key: JNVXYCUYUJCFHK-UHFFFAOYSA-N
• Popularity: 0 references in papers

Physical and Chemical Properties

• Molecular Formula: C₁₇H₁₆O₅
• Molecular Weight: 300.30 g/mol
• Exact Mass: 300.09977361 g/mol
• Topological Polar Surface Area (TPSA): 65.00 Ų
• XlogP: 2.50

Synonyms

There are no found synonyms.

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	98.66%	91.11%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	95.65%	95.56%
CHEMBL4261	Q16665	Hypoxia-inducible factor 1 alpha	94.74%	85.14%
CHEMBL1860	P10827	Thyroid hormone receptor alpha	93.58%	99.15%
CHEMBL3137262	O60341	LSD1/CoREST complex	93.38%	97.09%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	91.98%	96.09%
CHEMBL4203	Q9HAZ1	Dual specificity protein kinase CLK4	91.44%	94.45%
CHEMBL3038477	P67870	Casein kinase II alpha/beta	89.63%	99.23%
CHEMBL4208	P20618	Proteasome component C5	88.53%	90.00%
CHEMBL2635	P51452	Dual specificity protein phosphatase 3	88.35%	94.00%
CHEMBL2581	P07339	Cathepsin D	83.73%	98.95%

Plants that contains it

• Mimosa tenuiflora

Cross-Links

• PubChem: 162868517
• LOTUS: LTS0178386
• wikiData: Q105132153