Gossypetin 8,3',4'-trimethyl ether

Details

• Internal ID: 26fba79c-2d8f-4f32-854d-a2db1e646fe3
• Taxonomy: Phenylpropanoids and polyketides > Flavonoids > Flavones > Flavonols
• IUPAC Name: 2-(3,4-dimethoxyphenyl)-3,5,7-trihydroxy-8-methoxychromen-4-one
• InChI: InChI=1S/C18H16O8/c1-23-11-5-4-8(6-12(11)24-2)16-15(22)14(21)13-9(19)7-10(20)17(25-3)18(13)26-16/h4-7,19-20,22H,1-3H3
• InChI Key: WBQXQEDNDHFADV-UHFFFAOYSA-N
• Popularity: 2 references in papers

Physical and Chemical Properties

• Molecular Formula: C₁₈H₁₆O₈
• Molecular Weight: 360.30 g/mol
• Exact Mass: 360.08451746 g/mol
• Topological Polar Surface Area (TPSA): 115.00 Ų
• XlogP: 2.80

Synonyms

• LMPK12113246

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	96.61%	91.11%
CHEMBL2635	P51452	Dual specificity protein phosphatase 3	96.59%	94.00%
CHEMBL1806	P11388	DNA topoisomerase II alpha	93.35%	89.00%
CHEMBL1293249	Q13887	Kruppel-like factor 5	93.04%	86.33%
CHEMBL2581	P07339	Cathepsin D	90.09%	98.95%
CHEMBL1163101	O75460	Serine/threonine-protein kinase/endoribonuclease IRE1	86.90%	98.11%
CHEMBL1860	P10827	Thyroid hormone receptor alpha	86.57%	99.15%
CHEMBL4203	Q9HAZ1	Dual specificity protein kinase CLK4	86.39%	94.45%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	85.88%	95.56%
CHEMBL241	Q14432	Phosphodiesterase 3A	85.59%	92.94%
CHEMBL3194	P02766	Transthyretin	85.23%	90.71%
CHEMBL3060	Q9Y345	Glycine transporter 2	83.01%	99.17%
CHEMBL2717	Q9HCR9	Phosphodiesterase 11A	82.59%	85.00%
CHEMBL3401	O75469	Pregnane X receptor	81.90%	94.73%
CHEMBL1255126	O15151	Protein Mdm4	81.73%	90.20%
CHEMBL3038477	P67870	Casein kinase II alpha/beta	80.18%	99.23%

Plants that contains it

• Picnomon acarna

Cross-Links

• PubChem: 14027562
• LOTUS: LTS0072265
• wikiData: Q105300970