Cerasin

Details

• Internal ID: 1acb02d0-d191-4e82-90f8-269fa921fc93
• Taxonomy: Phenylpropanoids and polyketides > Linear 1,3-diarylpropanoids > Chalcones and dihydrochalcones > 2-Hydroxychalcones
• IUPAC Name: (E)-1-(2,4-dihydroxy-6-methoxyphenyl)-3-(2,4-dimethoxyphenyl)prop-2-en-1-one
• SMILES (Canonical): COC1=CC(=C(C=C1)C=CC(=O)C2=C(C=C(C=C2OC)O)O)OC
• SMILES (Isomeric): COC1=CC(=C(C=C1)/C=C/C(=O)C2=C(C=C(C=C2OC)O)O)OC
• InChI: InChI=1S/C18H18O6/c1-22-13-6-4-11(16(10-13)23-2)5-7-14(20)18-15(21)8-12(19)9-17(18)24-3/h4-10,19,21H,1-3H3/b7-5+
• InChI Key: CWMMCBXYWVPWJL-FNORWQNLSA-N
• Popularity: 1 reference in papers

Physical and Chemical Properties

• Molecular Formula: C₁₈H₁₈O₆
• Molecular Weight: 330.30 g/mol
• Exact Mass: 330.11033829 g/mol
• Topological Polar Surface Area (TPSA): 85.20 Ų
• XlogP: 3.40

Synonyms

• CHEMBL601679
• SCHEMBL1938588
• SCHEMBL1938591
• LMPK12120284

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	98.07%	91.11%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	95.23%	96.09%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	95.08%	95.56%
CHEMBL3194	P02766	Transthyretin	94.60%	90.71%
CHEMBL4208	P20618	Proteasome component C5	94.55%	90.00%
CHEMBL1293249	Q13887	Kruppel-like factor 5	91.76%	86.33%
CHEMBL1075094	Q16236	Nuclear factor erythroid 2-related factor 2	91.71%	96.00%
CHEMBL3060	Q9Y345	Glycine transporter 2	90.49%	99.17%
CHEMBL3091268	Q92753	Nuclear receptor ROR-beta	85.55%	95.50%
CHEMBL2535	P11166	Glucose transporter	85.12%	98.75%
CHEMBL1860	P10827	Thyroid hormone receptor alpha	85.04%	99.15%
CHEMBL1806	P11388	DNA topoisomerase II alpha	82.25%	89.00%
CHEMBL1929	P47989	Xanthine dehydrogenase	81.38%	96.12%
CHEMBL3714130	P46095	G-protein coupled receptor 6	81.34%	97.36%
CHEMBL241	Q14432	Phosphodiesterase 3A	81.02%	92.94%
CHEMBL2007	P16234	Platelet-derived growth factor receptor alpha	80.88%	91.07%
CHEMBL2581	P07339	Cathepsin D	80.09%	98.95%

Plants that contains it

• Prunus cerasus

Cross-Links

• PubChem: 21680430
• LOTUS: LTS0151207
• wikiData: Q76512093