Nigrolineaxanthone K

Details

• Internal ID: 1d4273f5-514b-4cc6-9b41-33a357bef942
• Taxonomy: Organoheterocyclic compounds > Benzopyrans > 1-benzopyrans > Xanthones > 8-prenylated xanthones
• IUPAC Name: 5,10-dihydroxy-2,2-dimethyl-7-(3-methylbut-2-enyl)pyrano[3,2-b]xanthen-6-one
• InChI: InChI=1S/C23H22O5/c1-12(2)5-6-13-7-8-15(24)22-18(13)21(26)19-17(27-22)11-16-14(20(19)25)9-10-23(3,4)28-16/h5,7-11,24-25H,6H2,1-4H3
• InChI Key: PRFQXBVHCYUCLS-UHFFFAOYSA-N
• Popularity: 3 references in papers

Physical and Chemical Properties

• Molecular Formula: C₂₃H₂₂O₅
• Molecular Weight: 378.40 g/mol
• Exact Mass: 378.14672380 g/mol
• Topological Polar Surface Area (TPSA): 76.00 Ų
• XlogP: 5.70

Synonyms

• 5,10-dihydroxy-2,2-dimethyl-7-(3-methylbut-2-enyl)pyrano(3,2-b)xanthen-6-one
• 5,10-dihydroxy-2,2-dimethyl-7-(3-methylbut-2-enyl)pyrano[3,2-b]xanthen-6-one
• RefChem:165863
• 643026-12-4
• CHEMBL462457

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	99.82%	91.11%
CHEMBL4203	Q9HAZ1	Dual specificity protein kinase CLK4	97.99%	94.45%
CHEMBL3401	O75469	Pregnane X receptor	95.63%	94.73%
CHEMBL2581	P07339	Cathepsin D	94.78%	98.95%
CHEMBL1951	P21397	Monoamine oxidase A	92.20%	91.49%
CHEMBL1806	P11388	DNA topoisomerase II alpha	91.95%	89.00%
CHEMBL1293249	Q13887	Kruppel-like factor 5	90.44%	86.33%
CHEMBL4261	Q16665	Hypoxia-inducible factor 1 alpha	89.52%	85.14%
CHEMBL4224	P49759	Dual specificty protein kinase CLK1	88.81%	85.30%
CHEMBL5845	P23415	Glycine receptor subunit alpha-1	86.20%	90.71%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	86.09%	95.56%
CHEMBL4208	P20618	Proteasome component C5	85.06%	90.00%
CHEMBL1860	P10827	Thyroid hormone receptor alpha	85.02%	99.15%
CHEMBL3038469	P24941	CDK2/Cyclin A	83.83%	91.38%
CHEMBL3830	Q2M2I8	Adaptor-associated kinase	83.75%	83.10%
CHEMBL3492	P49721	Proteasome Macropain subunit	82.96%	90.24%
CHEMBL4051	P13569	Cystic fibrosis transmembrane conductance regulator	82.09%	95.71%
CHEMBL1293267	Q9HC97	G-protein coupled receptor 35	81.94%	89.34%
CHEMBL2635	P51452	Dual specificity protein phosphatase 3	80.55%	94.00%
CHEMBL3038477	P67870	Casein kinase II alpha/beta	80.31%	99.23%

Plants that contains it

• Garcinia nigrolineata

Cross-Links

• PubChem: 11326411
• LOTUS: LTS0136772
• wikiData: Q105213652