Nigrolineaxanthone O

Details

• Internal ID: 57d932ee-87e5-4834-b0ed-cd3bcbdf2785
• Taxonomy: Organoheterocyclic compounds > Benzopyrans > 1-benzopyrans > Xanthones > 8-prenylated xanthones
• IUPAC Name: 1,3,5-trihydroxy-8-(3-methoxy-3-methylbutyl)-2-(3-methylbut-2-enyl)xanthen-9-one
• InChI: InChI=1S/C24H28O6/c1-13(2)6-8-15-17(26)12-18-20(21(15)27)22(28)19-14(10-11-24(3,4)29-5)7-9-16(25)23(19)30-18/h6-7,9,12,25-27H,8,10-11H2,1-5H3
• InChI Key: CLDJJUOXMZUESE-UHFFFAOYSA-N
• Popularity: 3 references in papers

Physical and Chemical Properties

• Molecular Formula: C₂₄H₂₈O₆
• Molecular Weight: 412.50 g/mol
• Exact Mass: 412.18858861 g/mol
• Topological Polar Surface Area (TPSA): 96.20 Ų
• XlogP: 5.50

Synonyms

• RefChem:165867
• 1,3,5-trihydroxy-8-(3-methoxy-3-methylbutyl)-2-(3-methylbut-2-enyl)xanthen-9-one
• 643026-16-8
• CHEMBL464127

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	99.81%	91.11%
CHEMBL1293267	Q9HC97	G-protein coupled receptor 35	96.14%	89.34%
CHEMBL3401	O75469	Pregnane X receptor	96.00%	94.73%
CHEMBL1293249	Q13887	Kruppel-like factor 5	95.70%	86.33%
CHEMBL2581	P07339	Cathepsin D	95.17%	98.95%
CHEMBL4203	Q9HAZ1	Dual specificity protein kinase CLK4	91.03%	94.45%
CHEMBL2635	P51452	Dual specificity protein phosphatase 3	89.56%	94.00%
CHEMBL1806	P11388	DNA topoisomerase II alpha	89.48%	89.00%
CHEMBL4793	Q86TI2	Dipeptidyl peptidase IX	89.06%	96.95%
CHEMBL335	P18031	Protein-tyrosine phosphatase 1B	86.55%	95.17%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	86.16%	95.56%
CHEMBL3194	P02766	Transthyretin	85.22%	90.71%
CHEMBL1860	P10827	Thyroid hormone receptor alpha	83.58%	99.15%
CHEMBL4261	Q16665	Hypoxia-inducible factor 1 alpha	83.51%	85.14%
CHEMBL3060	Q9Y345	Glycine transporter 2	83.40%	99.17%
CHEMBL2085	P14174	Macrophage migration inhibitory factor	82.61%	80.78%
CHEMBL1163101	O75460	Serine/threonine-protein kinase/endoribonuclease IRE1	81.49%	98.11%
CHEMBL5608	Q16288	NT-3 growth factor receptor	81.30%	95.89%
CHEMBL215	P09917	Arachidonate 5-lipoxygenase	80.80%	92.68%
CHEMBL3038477	P67870	Casein kinase II alpha/beta	80.01%	99.23%

Plants that contains it

• Garcinia nigrolineata

Cross-Links

• PubChem: 11338893
• LOTUS: LTS0136845
• wikiData: Q104963234