2',4'-Dihydroxy-4,6'-dimethoxydihydrochalcone

Details

• Internal ID: a1080816-6c22-4e14-8ef4-1c77b83430ae
• Taxonomy: Phenylpropanoids and polyketides > Linear 1,3-diarylpropanoids > Chalcones and dihydrochalcones > 2-Hydroxy-dihydrochalcones
• IUPAC Name: 1-(2,4-dihydroxy-6-methoxyphenyl)-3-(4-methoxyphenyl)propan-1-one
• SMILES (Canonical): COC1=CC=C(C=C1)CCC(=O)C2=C(C=C(C=C2OC)O)O
• SMILES (Isomeric): COC1=CC=C(C=C1)CCC(=O)C2=C(C=C(C=C2OC)O)O
• InChI: InChI=1S/C17H18O5/c1-21-13-6-3-11(4-7-13)5-8-14(19)17-15(20)9-12(18)10-16(17)22-2/h3-4,6-7,9-10,18,20H,5,8H2,1-2H3
• InChI Key: SGAQUVXWXIVPKX-UHFFFAOYSA-N
• Popularity: 6 references in papers

Physical and Chemical Properties

• Molecular Formula: C₁₇H₁₈O₅
• Molecular Weight: 302.32 g/mol
• Exact Mass: 302.11542367 g/mol
• Topological Polar Surface Area (TPSA): 76.00 Ų
• XlogP: 3.30

Synonyms

• 75679-58-2
• 1-(2,4-dihydroxy-6-methoxyphenyl)-3-(4-methoxyphenyl)propan-1-one
• 2,4-Dihydroxy-4,6-dimethoxydihydrochalcone
• CHEMBL255287
• SCHEMBL1938352
• DTXSID00348414
• HY-N8796
• LMPK12120538
• AKOS032948926
• CS-0149089
• 2/',4/'-Dihydroxy-4,6/'-dimethoxydihydrochalcone
• alpha,beta-Dihydro-2',4'-dihydroxy-4,6'-dimethoxychalcone
• 1-(2,4-Dihydroxy-6-methoxy-phenyl)-3-(4-methoxy-phenyl)-propan-1-one
• 1-propanone, 1-(2,4-dihydroxy-6-methoxyphenyl)-3-(4-methoxyphenyl)-
• InChI=1/C17H18O5/c1-21-13-6-3-11(4-7-13)5-8-14(19)17-15(20)9-12(18)10-16(17)22-2/h3-4,6-7,9-10,18,20H,5,8H2,1-2H

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
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	98.26%	96.09%
CHEMBL4208	P20618	Proteasome component C5	95.83%	90.00%
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	95.59%	91.11%
CHEMBL3060	Q9Y345	Glycine transporter 2	95.27%	99.17%
CHEMBL1293249	Q13887	Kruppel-like factor 5	91.30%	86.33%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	91.14%	95.56%
CHEMBL2581	P07339	Cathepsin D	91.02%	98.95%
CHEMBL2535	P11166	Glucose transporter	89.73%	98.75%
CHEMBL2635	P51452	Dual specificity protein phosphatase 3	88.96%	94.00%
CHEMBL4203	Q9HAZ1	Dual specificity protein kinase CLK4	88.39%	94.45%
CHEMBL3091268	Q92753	Nuclear receptor ROR-beta	86.55%	95.50%
CHEMBL3492	P49721	Proteasome Macropain subunit	86.13%	90.24%
CHEMBL4793	Q86TI2	Dipeptidyl peptidase IX	84.26%	96.95%
CHEMBL1075094	Q16236	Nuclear factor erythroid 2-related factor 2	81.94%	96.00%
CHEMBL1255126	O15151	Protein Mdm4	81.94%	90.20%
CHEMBL3401	O75469	Pregnane X receptor	81.21%	94.73%
CHEMBL4016	P42262	Glutamate receptor ionotropic, AMPA 2	80.74%	86.92%
CHEMBL1860	P10827	Thyroid hormone receptor alpha	80.42%	99.15%

Plants that contains it

• Goniothalamus gardneri
• Iryanthera grandis
• Iryanthera laevis
• Iryanthera lancifolia
• Iryanthera paraensis
• Iryanthera sagotiana
• Sarcandra glabra

Cross-Links

• PubChem: 637162
• NPASS: NPC20560
• ChEMBL: CHEMBL255287
• LOTUS: LTS0266943
• wikiData: Q72466597