Cudraflavone C

Details

• Internal ID: 885428e6-ec86-4e98-adea-b83f1565f0b5
• Taxonomy: Phenylpropanoids and polyketides > Flavonoids > Flavones > 6-prenylated flavones
• IUPAC Name: 2-(2,4-dihydroxyphenyl)-5,7-dihydroxy-3,6-bis(3-methylbut-2-enyl)chromen-4-one
• SMILES (Canonical): CC(=CCC1=C(C2=C(C=C1O)OC(=C(C2=O)CC=C(C)C)C3=C(C=C(C=C3)O)O)O)C
• SMILES (Isomeric): CC(=CCC1=C(C2=C(C=C1O)OC(=C(C2=O)CC=C(C)C)C3=C(C=C(C=C3)O)O)O)C
• InChI: InChI=1S/C25H26O6/c1-13(2)5-8-16-20(28)12-21-22(23(16)29)24(30)18(9-6-14(3)4)25(31-21)17-10-7-15(26)11-19(17)27/h5-7,10-12,26-29H,8-9H2,1-4H3
• InChI Key: MUUDYSFWQUSAOO-UHFFFAOYSA-N
• Popularity: 11 references in papers

Physical and Chemical Properties

• Molecular Formula: C₂₅H₂₆O₆
• Molecular Weight: 422.50 g/mol
• Exact Mass: 422.17293854 g/mol
• Topological Polar Surface Area (TPSA): 107.00 Ų
• XlogP: 5.50

Synonyms

• 19275-47-9
• CHEBI:68023
• 2-(2,4-dihydroxyphenyl)-5,7-dihydroxy-3,6-bis(3-methylbut-2-enyl)chromen-4-one
• 2',4',5,7-Tetrahydroxy-3,6-bis(3-methyl-2-butenyl)flavone
• 4H-1-Benzopyran-4-one, 2-(2,4-dihydroxy-phenyl)-5,7-dihydroxy-3,6-bis(3-methyl-2-butenyl)-
• CHEMBL485777
• DTXSID80172870
• BDBM50291327
• LMPK12110902
• NSC720089
• NSC-720089
• Q27136508
• 2-(2,4-dihydroxy-phenyl)-5,7-dihydroxy-3,6-bis(3-methyl-2-butenyl)-4H-1-benzopyran-4-one
• 2-(2,4-dihydroxyphenyl)-5,7-dihydroxy-3,6-bis(3-methylbut-2-en-1-yl)-4H-chromen-4-one

2D Structure

ADMET Properties (via admetSAR 2)

Target	Value	Probability (raw)	Probability (%)
No predicted properties yet!

Targets

Proven Targets:

CHEMBL ID	UniProt ID	Name	Min activity	Assay type	Source
CHEMBL288	Q08499	Phosphodiesterase 4D	260 nM	IC50	via Super-PRED

Predicted Targets (via Super-PRED):

CHEMBL ID	UniProt ID	Name	Probability	Model accuracy
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	99.26%	91.11%
CHEMBL2581	P07339	Cathepsin D	98.35%	98.95%
CHEMBL1951	P21397	Monoamine oxidase A	96.30%	91.49%
CHEMBL3401	O75469	Pregnane X receptor	94.37%	94.73%
CHEMBL1806	P11388	DNA topoisomerase II alpha	93.38%	89.00%
CHEMBL1293249	Q13887	Kruppel-like factor 5	89.88%	86.33%
CHEMBL3194	P02766	Transthyretin	89.63%	90.71%
CHEMBL2345	P51812	Ribosomal protein S6 kinase alpha 3	88.93%	95.64%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	88.55%	95.56%
CHEMBL5845	P23415	Glycine receptor subunit alpha-1	85.54%	90.71%
CHEMBL2635	P51452	Dual specificity protein phosphatase 3	85.01%	94.00%
CHEMBL3060	Q9Y345	Glycine transporter 2	83.14%	99.17%
CHEMBL3038469	P24941	CDK2/Cyclin A	82.99%	91.38%
CHEMBL4208	P20618	Proteasome component C5	82.07%	90.00%
CHEMBL4793	Q86TI2	Dipeptidyl peptidase IX	80.81%	96.95%
CHEMBL1929	P47989	Xanthine dehydrogenase	80.62%	96.12%
CHEMBL1860	P10827	Thyroid hormone receptor alpha	80.23%	99.15%

Plants that contains it

• Artocarpus altilis
• Artocarpus heterophyllus
• Artocarpus integer
• Maclura tinctoria
• Maclura tricuspidata
• Morus alba
• Morus mongolica
• Morus nigra

Cross-Links

• PubChem: 5319924
• NPASS: NPC303633
• ChEMBL: CHEMBL485777
• LOTUS: LTS0086862
• wikiData: Q27136508