1-(3,7-Dimethyl-2-oxoocta-3,6-dienyl)-3,6,8-trihydroxy-2-methoxyxanthen-9-one

Details

• Internal ID: 70896fb1-d65e-4646-bb15-318fc2ea41cf
• Taxonomy: Organoheterocyclic compounds > Benzopyrans > 1-benzopyrans > Xanthones > 8-prenylated xanthones
• IUPAC Name: 1-(3,7-dimethyl-2-oxoocta-3,6-dienyl)-3,6,8-trihydroxy-2-methoxyxanthen-9-one
• InChI: InChI=1S/C24H24O7/c1-12(2)6-5-7-13(3)16(26)10-15-21-20(11-18(28)24(15)30-4)31-19-9-14(25)8-17(27)22(19)23(21)29/h6-9,11,25,27-28H,5,10H2,1-4H3
• InChI Key: FZQZHJBZPIBKGW-UHFFFAOYSA-N
• Popularity: 3 references in papers

Physical and Chemical Properties

• Molecular Formula: C₂₄H₂₄O₇
• Molecular Weight: 424.40 g/mol
• Exact Mass: 424.15220310 g/mol
• Topological Polar Surface Area (TPSA): 113.00 Ų
• XlogP: 4.80

Synonyms

There are no found synonyms.

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	98.74%	91.11%
CHEMBL4203	Q9HAZ1	Dual specificity protein kinase CLK4	95.76%	94.45%
CHEMBL2581	P07339	Cathepsin D	94.46%	98.95%
CHEMBL3060	Q9Y345	Glycine transporter 2	92.24%	99.17%
CHEMBL1293249	Q13887	Kruppel-like factor 5	91.41%	86.33%
CHEMBL1806	P11388	DNA topoisomerase II alpha	91.26%	89.00%
CHEMBL3401	O75469	Pregnane X receptor	89.67%	94.73%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	88.09%	95.56%
CHEMBL2635	P51452	Dual specificity protein phosphatase 3	87.37%	94.00%
CHEMBL1929	P47989	Xanthine dehydrogenase	86.31%	96.12%
CHEMBL3194	P02766	Transthyretin	84.99%	90.71%
CHEMBL4793	Q86TI2	Dipeptidyl peptidase IX	83.09%	96.95%
CHEMBL3038477	P67870	Casein kinase II alpha/beta	82.53%	99.23%

Plants that contains it

• Garcinia parvifolia

Cross-Links

• PubChem: 85301708
• LOTUS: LTS0198339
• wikiData: Q105005134