Artoindonesianin R

Details

• Internal ID: ba3adfd4-2d9c-40d6-964b-7f22fcf90716
• Taxonomy: Phenylpropanoids and polyketides > Flavonoids > Flavones > 3-prenylated flavones
• IUPAC Name: 5,7-dihydroxy-2-(5-hydroxy-2,4-dimethoxyphenyl)-3-(3-methylbut-2-enyl)chromen-4-one
• SMILES (Canonical): CC(=CCC1=C(OC2=CC(=CC(=C2C1=O)O)O)C3=CC(=C(C=C3OC)OC)O)C
• SMILES (Isomeric): CC(=CCC1=C(OC2=CC(=CC(=C2C1=O)O)O)C3=CC(=C(C=C3OC)OC)O)C
• InChI: InChI=1S/C22H22O7/c1-11(2)5-6-13-21(26)20-16(25)7-12(23)8-19(20)29-22(13)14-9-15(24)18(28-4)10-17(14)27-3/h5,7-10,23-25H,6H2,1-4H3
• InChI Key: BSOHKHJORVDTBW-UHFFFAOYSA-N
• Popularity: 1 reference in papers

Physical and Chemical Properties

• Molecular Formula: C₂₂H₂₂O₇
• Molecular Weight: 398.40 g/mol
• Exact Mass: 398.13655304 g/mol
• Topological Polar Surface Area (TPSA): 105.00 Ų
• XlogP: 4.50

Synonyms

• CHEBI:178246
• LMPK12110911
• 5,7-dihydroxy-2-(5-hydroxy-2,4-dimethoxyphenyl)-3-(3-methylbut-2-enyl)chromen-4-one

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	98.93%	91.11%
CHEMBL2581	P07339	Cathepsin D	94.69%	98.95%
CHEMBL1293249	Q13887	Kruppel-like factor 5	94.08%	86.33%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	91.63%	95.56%
CHEMBL3060	Q9Y345	Glycine transporter 2	91.23%	99.17%
CHEMBL3194	P02766	Transthyretin	91.23%	90.71%
CHEMBL3401	O75469	Pregnane X receptor	90.94%	94.73%
CHEMBL1806	P11388	DNA topoisomerase II alpha	90.40%	89.00%
CHEMBL2635	P51452	Dual specificity protein phosphatase 3	90.27%	94.00%
CHEMBL1929	P47989	Xanthine dehydrogenase	88.48%	96.12%
CHEMBL1951	P21397	Monoamine oxidase A	87.53%	91.49%
CHEMBL4793	Q86TI2	Dipeptidyl peptidase IX	84.66%	96.95%
CHEMBL1075094	Q16236	Nuclear factor erythroid 2-related factor 2	83.32%	96.00%
CHEMBL4203	Q9HAZ1	Dual specificity protein kinase CLK4	82.90%	94.45%
CHEMBL3922	P50579	Methionine aminopeptidase 2	82.17%	97.28%
CHEMBL2535	P11166	Glucose transporter	82.03%	98.75%
CHEMBL3038477	P67870	Casein kinase II alpha/beta	81.46%	99.23%
CHEMBL4208	P20618	Proteasome component C5	81.07%	90.00%
CHEMBL225	P28335	Serotonin 2c (5-HT2c) receptor	80.36%	89.62%

Plants that contains it

• Artocarpus integer

Cross-Links

• PubChem: 5320437
• LOTUS: LTS0107545
• wikiData: Q104399634