Cudraxanthone C

Details

• Internal ID: ea41ee2d-4fe1-42f5-a3d4-9c338f3c19df
• Taxonomy: Organoheterocyclic compounds > Benzopyrans > 1-benzopyrans > Xanthones > 8-prenylated xanthones
• IUPAC Name: 3,6,8-trihydroxy-2-methoxy-5-(2-methylbut-3-en-2-yl)-1-(3-methylbut-2-enyl)xanthen-9-one
• SMILES (Canonical): CC(=CCC1=C(C(=CC2=C1C(=O)C3=C(O2)C(=C(C=C3O)O)C(C)(C)C=C)O)OC)C
• SMILES (Isomeric): CC(=CCC1=C(C(=CC2=C1C(=O)C3=C(O2)C(=C(C=C3O)O)C(C)(C)C=C)O)OC)C
• InChI: InChI=1S/C24H26O6/c1-7-24(4,5)20-15(26)10-14(25)19-21(28)18-13(9-8-12(2)3)22(29-6)16(27)11-17(18)30-23(19)20/h7-8,10-11,25-27H,1,9H2,2-6H3
• InChI Key: ZTYHIXDBHBLOBX-UHFFFAOYSA-N
• Popularity: 6 references in papers

Physical and Chemical Properties

• Molecular Formula: C₂₄H₂₆O₆
• Molecular Weight: 410.50 g/mol
• Exact Mass: 410.17293854 g/mol
• Topological Polar Surface Area (TPSA): 96.20 Ų
• XlogP: 6.30

Synonyms

• RefChem:128754
• 3,6,8-trihydroxy-2-methoxy-5-(2-methylbut-3-en-2-yl)-1-(3-methylbut-2-enyl)xanthen-9-one
• 84955-04-4
• CHEMBL200429
• BDBM50175017
• 3,6,8-trihydroxy-2-methoxy-1-(3-methylbut-2-enyl)-5-(2-methylbut-3-en-2-yl)-9H-xanthen-9-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
CHEMBL2782	P35610	Acyl coenzyme A:cholesterol acyltransferase 1	20000 nM	IC50	PMID: 20499851

Predicted Targets (via Super-PRED):

CHEMBL ID	UniProt ID	Name	Probability	Model accuracy
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	99.01%	91.11%
CHEMBL2581	P07339	Cathepsin D	94.90%	98.95%
CHEMBL3401	O75469	Pregnane X receptor	93.78%	94.73%
CHEMBL1293267	Q9HC97	G-protein coupled receptor 35	92.64%	89.34%
CHEMBL4203	Q9HAZ1	Dual specificity protein kinase CLK4	91.37%	94.45%
CHEMBL1293249	Q13887	Kruppel-like factor 5	89.58%	86.33%
CHEMBL2635	P51452	Dual specificity protein phosphatase 3	88.66%	94.00%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	88.16%	95.56%
CHEMBL3060	Q9Y345	Glycine transporter 2	86.29%	99.17%
CHEMBL1806	P11388	DNA topoisomerase II alpha	83.77%	89.00%
CHEMBL4793	Q86TI2	Dipeptidyl peptidase IX	83.55%	96.95%
CHEMBL1951	P21397	Monoamine oxidase A	81.47%	91.49%
CHEMBL2085	P14174	Macrophage migration inhibitory factor	80.33%	80.78%

Plants that contains it

• Maclura tricuspidata

Cross-Links

• PubChem: 44405862
• NPASS: NPC220313
• ChEMBL: CHEMBL200429
• LOTUS: LTS0167650
• wikiData: Q105383350