Myrigalone G

Details

• Internal ID: d9bdec99-d6d6-4b45-a00f-e65678271bcf
• Taxonomy: Phenylpropanoids and polyketides > Linear 1,3-diarylpropanoids > Chalcones and dihydrochalcones > 2-Hydroxy-dihydrochalcones
• IUPAC Name: 1-(2,6-dihydroxy-4-methoxy-3-methylphenyl)-3-phenylpropan-1-one
• SMILES (Canonical): CC1=C(C=C(C(=C1O)C(=O)CCC2=CC=CC=C2)O)OC
• SMILES (Isomeric): CC1=C(C=C(C(=C1O)C(=O)CCC2=CC=CC=C2)O)OC
• InChI: InChI=1S/C17H18O4/c1-11-15(21-2)10-14(19)16(17(11)20)13(18)9-8-12-6-4-3-5-7-12/h3-7,10,19-20H,8-9H2,1-2H3
• InChI Key: BMBFYUFAFGLKJJ-UHFFFAOYSA-N
• Popularity: 1 reference in papers

Physical and Chemical Properties

• Molecular Formula: C₁₇H₁₈O₄
• Molecular Weight: 286.32 g/mol
• Exact Mass: 286.12050905 g/mol
• Topological Polar Surface Area (TPSA): 66.80 Ų
• XlogP: 3.70

Synonyms

• 2',6'-Dihydroxy-4'-methoxy-3'-methyldihydrochalcone
• 1-(2,6-Dihydroxy-4-methoxy-3-methylphenyl)-3-phenylpropan-1-one
• SCHEMBL14400965
• CHEBI:174741
• DTXSID101317978
• 1-(2,6-dihydroxy-4-methoxy-3-methyl-phenyl)-3-phenyl-propan-1-one
• LMPK12120493
• 83247-38-5
• 1-(2,6-Dihydroxy-4-methoxy-3-methylphenyl)-3-phenyl-1-propanone

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	95.52%	96.09%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	95.16%	95.56%
CHEMBL2581	P07339	Cathepsin D	94.75%	98.95%
CHEMBL1293249	Q13887	Kruppel-like factor 5	93.50%	86.33%
CHEMBL3060	Q9Y345	Glycine transporter 2	92.14%	99.17%
CHEMBL1255126	O15151	Protein Mdm4	91.28%	90.20%
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	89.49%	91.11%
CHEMBL3091268	Q92753	Nuclear receptor ROR-beta	88.23%	95.50%
CHEMBL4657	Q6V1X1	Dipeptidyl peptidase VIII	84.55%	97.21%
CHEMBL4208	P20618	Proteasome component C5	83.92%	90.00%
CHEMBL2535	P11166	Glucose transporter	83.63%	98.75%
CHEMBL2635	P51452	Dual specificity protein phosphatase 3	83.30%	94.00%
CHEMBL4793	Q86TI2	Dipeptidyl peptidase IX	83.29%	96.95%
CHEMBL1075094	Q16236	Nuclear factor erythroid 2-related factor 2	82.41%	96.00%
CHEMBL3401	O75469	Pregnane X receptor	81.47%	94.73%
CHEMBL1860	P10827	Thyroid hormone receptor alpha	80.48%	99.15%

Plants that contains it

• Leptospermum recurvum
• Myrica gale

Cross-Links

• PubChem: 9947802
• LOTUS: LTS0081915
• wikiData: Q104938305