5-Hydroxy-3,4,7-triphenyl-2,6-benzofurandione

Details

• Internal ID: ec6a8210-11b2-411c-ab61-c703d2710c23
• Taxonomy: Phenylpropanoids and polyketides > Diarylheptanoids > Linear diarylheptanoids
• IUPAC Name: 2-hydroxy-3,4,7-triphenyl-1-benzofuran-5,6-dione
• InChI: InChI=1S/C26H16O4/c27-23-19(16-10-4-1-5-11-16)22-20(17-12-6-2-7-13-17)26(29)30-25(22)21(24(23)28)18-14-8-3-9-15-18/h1-15,29H
• InChI Key: QYPJBISYXZLMLI-UHFFFAOYSA-N
• Popularity: 2 references in papers

Physical and Chemical Properties

• Molecular Formula: C₂₆H₁₆O₄
• Molecular Weight: 392.40 g/mol
• Exact Mass: 392.10485899 g/mol
• Topological Polar Surface Area (TPSA): 63.60 Ų
• XlogP: 4.00

Synonyms

• 5-Hydroxy-3,4,7-triphenylbenzofuran-2,6-dione
• 2-hydroxy-3,4,7-triphenyl-1-benzofuran-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
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	97.17%	95.56%
CHEMBL2581	P07339	Cathepsin D	95.91%	98.95%
CHEMBL3038477	P67870	Casein kinase II alpha/beta	91.51%	99.23%
CHEMBL262	P49841	Glycogen synthase kinase-3 beta	89.14%	95.72%
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	86.17%	91.11%
CHEMBL1293249	Q13887	Kruppel-like factor 5	85.80%	86.33%
CHEMBL1806	P11388	DNA topoisomerase II alpha	84.51%	89.00%
CHEMBL3192	Q9BY41	Histone deacetylase 8	83.50%	93.99%
CHEMBL3401	O75469	Pregnane X receptor	82.57%	94.73%

Plants that contains it

There are no matching plants.

Cross-Links

• PubChem: 10046023
• LOTUS: LTS0137300
• wikiData: Q77384774