3',5'-Dihydroxy-2',4',6'-trimethoxydihydrochalcone

Details

• Internal ID: f7ca104a-e61e-4d79-9ab8-bbdb5ad33085
• Taxonomy: Phenylpropanoids and polyketides > Linear 1,3-diarylpropanoids > Cinnamylphenols
• IUPAC Name: 1-(3,5-dihydroxy-2,4,6-trimethoxyphenyl)-3-phenylpropan-1-one
• SMILES (Canonical): COC1=C(C(=C(C(=C1O)OC)O)OC)C(=O)CCC2=CC=CC=C2
• SMILES (Isomeric): COC1=C(C(=C(C(=C1O)OC)O)OC)C(=O)CCC2=CC=CC=C2
• InChI: InChI=1S/C18H20O6/c1-22-16-13(12(19)10-9-11-7-5-4-6-8-11)17(23-2)15(21)18(24-3)14(16)20/h4-8,20-21H,9-10H2,1-3H3
• InChI Key: SUSGJBHGRXXLLU-UHFFFAOYSA-N
• Popularity: 0 references in papers

Physical and Chemical Properties

• Molecular Formula: C₁₈H₂₀O₆
• Molecular Weight: 332.30 g/mol
• Exact Mass: 332.12598835 g/mol
• Topological Polar Surface Area (TPSA): 85.20 Ų
• XlogP: 2.70

Synonyms

• LMPK12120564

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	95.17%	96.09%
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	94.76%	91.11%
CHEMBL2581	P07339	Cathepsin D	94.19%	98.95%
CHEMBL3091268	Q92753	Nuclear receptor ROR-beta	91.56%	95.50%
CHEMBL1293249	Q13887	Kruppel-like factor 5	90.32%	86.33%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	90.24%	95.56%
CHEMBL3060	Q9Y345	Glycine transporter 2	88.23%	99.17%
CHEMBL2035	P08912	Muscarinic acetylcholine receptor M5	85.77%	94.62%
CHEMBL1821	P08173	Muscarinic acetylcholine receptor M4	81.97%	94.08%
CHEMBL2095172	P14867	GABA-A receptor; alpha-1/beta-2/gamma-2	80.47%	92.67%
CHEMBL1255126	O15151	Protein Mdm4	80.46%	90.20%

Plants that contains it

• Lindera lucida

Cross-Links

• PubChem: 15837698
• LOTUS: LTS0067910
• wikiData: Q105261357