2-Methoxy-4-hydroxydihydrochalcone

Details

• Internal ID: 07810b9f-0d08-4c58-beee-71c7c16506dc
• Taxonomy: Phenylpropanoids and polyketides > Linear 1,3-diarylpropanoids > Chalcones and dihydrochalcones > Retro-dihydrochalcones
• IUPAC Name: 3-(4-hydroxy-2-methoxyphenyl)-1-phenylpropan-1-one
• SMILES (Canonical): COC1=C(C=CC(=C1)O)CCC(=O)C2=CC=CC=C2
• SMILES (Isomeric): COC1=C(C=CC(=C1)O)CCC(=O)C2=CC=CC=C2
• InChI: InChI=1S/C16H16O3/c1-19-16-11-14(17)9-7-13(16)8-10-15(18)12-5-3-2-4-6-12/h2-7,9,11,17H,8,10H2,1H3
• InChI Key: RWDXOTXVACHAOX-UHFFFAOYSA-N
• Popularity: 0 references in papers

Physical and Chemical Properties

• Molecular Formula: C₁₆H₁₆O₃
• Molecular Weight: 256.30 g/mol
• Exact Mass: 256.109944368 g/mol
• Topological Polar Surface Area (TPSA): 46.50 Ų
• XlogP: 3.10

Synonyms

• 3-(4-hydroxy-2-methoxyphenyl)-1-phenylpropan-1-one
• RefChem:87829
• 196863-37-3
• SCHEMBL7198317
• CHEBI:137729
• LMPK12120605

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
CHEMBL1293249	Q13887	Kruppel-like factor 5	96.18%	86.33%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	94.41%	96.09%
CHEMBL2535	P11166	Glucose transporter	94.10%	98.75%
CHEMBL3060	Q9Y345	Glycine transporter 2	93.97%	99.17%
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	93.68%	91.11%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	92.84%	95.56%
CHEMBL1255126	O15151	Protein Mdm4	91.79%	90.20%
CHEMBL2581	P07339	Cathepsin D	89.72%	98.95%
CHEMBL4208	P20618	Proteasome component C5	87.10%	90.00%
CHEMBL3091268	Q92753	Nuclear receptor ROR-beta	86.74%	95.50%
CHEMBL4793	Q86TI2	Dipeptidyl peptidase IX	82.48%	96.95%
CHEMBL1907603	Q05586	Glutamate NMDA receptor; GRIN1/GRIN2B	82.28%	95.89%

Plants that contains it

• Dracaena cinnabari

Cross-Links

• PubChem: 42607734
• LOTUS: LTS0076430
• wikiData: Q105246472