Glychalcone B

Details

• Internal ID: b6fd0dcd-42a6-4577-bb26-6c1619b1c797
• Taxonomy: Phenylpropanoids and polyketides > Linear 1,3-diarylpropanoids > Chalcones and dihydrochalcones > 2-Hydroxychalcones
• IUPAC Name: (E)-3-(3,4-dimethoxyphenyl)-1-(5-hydroxy-7-methoxy-2,2-dimethylchromen-6-yl)prop-2-en-1-one
• SMILES (Canonical): CC1(C=CC2=C(C(=C(C=C2O1)OC)C(=O)C=CC3=CC(=C(C=C3)OC)OC)O)C
• SMILES (Isomeric): CC1(C=CC2=C(C(=C(C=C2O1)OC)C(=O)/C=C/C3=CC(=C(C=C3)OC)OC)O)C
• InChI: InChI=1S/C23H24O6/c1-23(2)11-10-15-18(29-23)13-20(28-5)21(22(15)25)16(24)8-6-14-7-9-17(26-3)19(12-14)27-4/h6-13,25H,1-5H3/b8-6+
• InChI Key: ABLZJMDXNZTQKT-SOFGYWHQSA-N
• Popularity: 0 references in papers

Physical and Chemical Properties

• Molecular Formula: C₂₃H₂₄O₆
• Molecular Weight: 396.40 g/mol
• Exact Mass: 396.15728848 g/mol
• Topological Polar Surface Area (TPSA): 74.20 Ų
• XlogP: 4.70

Synonyms

• 6'',6''-Dimethylpyrano[2'',3'':4',3']-2'-hydroxy-3,4,6'-trimethoxychalcone
• LMPK12120305

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	98.57%	91.11%
CHEMBL1293249	Q13887	Kruppel-like factor 5	95.83%	86.33%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	94.01%	96.09%
CHEMBL4203	Q9HAZ1	Dual specificity protein kinase CLK4	93.71%	94.45%
CHEMBL1075094	Q16236	Nuclear factor erythroid 2-related factor 2	92.37%	96.00%
CHEMBL1806	P11388	DNA topoisomerase II alpha	91.81%	89.00%
CHEMBL4208	P20618	Proteasome component C5	90.22%	90.00%
CHEMBL3194	P02766	Transthyretin	89.47%	90.71%
CHEMBL1255126	O15151	Protein Mdm4	89.44%	90.20%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	87.91%	95.56%
CHEMBL2413	P32246	C-C chemokine receptor type 1	86.59%	89.50%
CHEMBL3091268	Q92753	Nuclear receptor ROR-beta	86.27%	95.50%
CHEMBL2007	P16234	Platelet-derived growth factor receptor alpha	83.87%	91.07%
CHEMBL230	P35354	Cyclooxygenase-2	83.49%	89.63%
CHEMBL241	Q14432	Phosphodiesterase 3A	82.94%	92.94%
CHEMBL3060	Q9Y345	Glycine transporter 2	82.34%	99.17%
CHEMBL4261	Q16665	Hypoxia-inducible factor 1 alpha	81.75%	85.14%
CHEMBL2535	P11166	Glucose transporter	81.32%	98.75%
CHEMBL3788	O00444	Serine/threonine-protein kinase PLK4	81.31%	83.65%
CHEMBL290	Q13370	Phosphodiesterase 3B	80.86%	94.00%
CHEMBL3401	O75469	Pregnane X receptor	80.01%	94.73%

Plants that contains it

• Glycosmis parviflora

Cross-Links

• PubChem: 15230652
• LOTUS: LTS0124528
• wikiData: Q76506574