Xylerythrin

Details

• Internal ID: 314a3183-65f0-454c-be67-7c17df3e37f5
• Taxonomy: Phenylpropanoids and polyketides > Diarylheptanoids > Linear diarylheptanoids
• IUPAC Name: 2-hydroxy-3-(4-hydroxyphenyl)-4,7-diphenyl-1-benzofuran-5,6-dione
• InChI: InChI=1S/C26H16O5/c27-18-13-11-17(12-14-18)20-22-19(15-7-3-1-4-8-15)23(28)24(29)21(25(22)31-26(20)30)16-9-5-2-6-10-16/h1-14,27,30H
• InChI Key: VFDVKMUPNVSMOG-UHFFFAOYSA-N
• Popularity: 0 references in papers

Physical and Chemical Properties

• Molecular Formula: C₂₆H₁₆O₅
• Molecular Weight: 408.40 g/mol
• Exact Mass: 408.09977361 g/mol
• Topological Polar Surface Area (TPSA): 83.80 Ų
• XlogP: 3.70

Synonyms

• RefChem:195501
• 2-hydroxy-3-(4-hydroxyphenyl)-4,7-diphenyl-1-benzofuran-5,6-dione
• 7611-34-9
• CHEBI:203160
• 3-(4-Hydroxyphenyl)-4,7-diphenyl-5-hydroxybenzofuran-2,6-dione
• 2-hydroxy-3-(4-hydroxyphenyl)-4,7-diphenyl-1-benzouran-5,6-dione

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
CHEMBL2581	P07339	Cathepsin D	97.25%	98.95%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	96.75%	95.56%
CHEMBL242	Q92731	Estrogen receptor beta	94.07%	98.35%
CHEMBL3038477	P67870	Casein kinase II alpha/beta	92.22%	99.23%
CHEMBL1293249	Q13887	Kruppel-like factor 5	88.36%	86.33%
CHEMBL1806	P11388	DNA topoisomerase II alpha	85.96%	89.00%
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	82.34%	91.11%
CHEMBL2035	P08912	Muscarinic acetylcholine receptor M5	81.39%	94.62%
CHEMBL3192	Q9BY41	Histone deacetylase 8	80.81%	93.99%
CHEMBL3401	O75469	Pregnane X receptor	80.67%	94.73%

Plants that contains it

There are no matching plants.

Cross-Links

• PubChem: 135434054
• LOTUS: LTS0131315
• wikiData: Q77375812