Ugaxanthone

Details

• Internal ID: 7ce1150f-c716-484d-9f8f-2e39ae05d4bf
• Taxonomy: Organoheterocyclic compounds > Benzopyrans > 1-benzopyrans > Xanthones > 4-prenylated xanthones
• IUPAC Name: 1,3,5,6-tetrahydroxy-4-(3-methylbut-2-enyl)xanthen-9-one
• SMILES (Canonical): CC(=CCC1=C2C(=C(C=C1O)O)C(=O)C3=C(O2)C(=C(C=C3)O)O)C
• SMILES (Isomeric): CC(=CCC1=C2C(=C(C=C1O)O)C(=O)C3=C(O2)C(=C(C=C3)O)O)C
• InChI: InChI=1S/C18H16O6/c1-8(2)3-4-9-12(20)7-13(21)14-15(22)10-5-6-11(19)16(23)18(10)24-17(9)14/h3,5-7,19-21,23H,4H2,1-2H3
• InChI Key: ZZUFNBISWJNCEE-UHFFFAOYSA-N
• Popularity: 4 references in papers

Physical and Chemical Properties

• Molecular Formula: C₁₈H₁₆O₆
• Molecular Weight: 328.30 g/mol
• Exact Mass: 328.09468823 g/mol
• Topological Polar Surface Area (TPSA): 107.00 Ų
• XlogP: 4.00

Synonyms

• 13179-11-8
• 1,3,5,6-tetrahydroxy-4-(3-methylbut-2-enyl)xanthen-9-one
• 1,3,5,6-tetrahydroxy-4-prenylxanthone
• CHEBI:174394
• DTXSID601318119
• AKOS040762462
• 1,3,5,6-Tetrahydroxy-4-(3-methyl-2-butenyl)-9H-xanthen-9-one, 9CI
• 1,3,5,6-TETRAHYDROXY-4-(3-METHYLBUT-2-EN-1-YL)-9H-XANTHEN-9-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	99.58%	91.11%
CHEMBL1951	P21397	Monoamine oxidase A	99.10%	91.49%
CHEMBL4203	Q9HAZ1	Dual specificity protein kinase CLK4	95.93%	94.45%
CHEMBL1293267	Q9HC97	G-protein coupled receptor 35	95.31%	89.34%
CHEMBL2581	P07339	Cathepsin D	94.80%	98.95%
CHEMBL3401	O75469	Pregnane X receptor	93.70%	94.73%
CHEMBL1806	P11388	DNA topoisomerase II alpha	92.50%	89.00%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	90.39%	95.56%
CHEMBL1293249	Q13887	Kruppel-like factor 5	85.23%	86.33%
CHEMBL4224	P49759	Dual specificty protein kinase CLK1	85.04%	85.30%
CHEMBL2635	P51452	Dual specificity protein phosphatase 3	84.83%	94.00%
CHEMBL1860	P10827	Thyroid hormone receptor alpha	83.73%	99.15%
CHEMBL1163101	O75460	Serine/threonine-protein kinase/endoribonuclease IRE1	83.69%	98.11%
CHEMBL3038469	P24941	CDK2/Cyclin A	83.01%	91.38%

Plants that contains it

• Garcinia dulcis
• Hypericum beanii
• Hypericum henryi
• Hypericum japonicum
• Morus insignis

Cross-Links

• PubChem: 5321880
• LOTUS: LTS0144974
• wikiData: Q105387085