Bifuhalol

Details

• Internal ID: 09b77b4b-6e1a-4743-a510-fc61bc4aa6e3
• Taxonomy: Phenylpropanoids and polyketides > Tannins
• IUPAC Name: 2-(3,4,5-trihydroxyphenoxy)benzene-1,3,5-triol
• InChI: InChI=1S/C12H10O7/c13-5-1-9(16)12(10(17)2-5)19-6-3-7(14)11(18)8(15)4-6/h1-4,13-18H
• InChI Key: PYUFXOMNRPZYTI-UHFFFAOYSA-N
• Popularity: 8 references in papers

Physical and Chemical Properties

• Molecular Formula: C₁₂H₁₀O₇
• Molecular Weight: 266.20 g/mol
• Exact Mass: 266.04265265 g/mol
• Topological Polar Surface Area (TPSA): 131.00 Ų
• XlogP: 1.30

Synonyms

• 53254-99-2
• 2-(3,4,5-trihydroxyphenoxy)benzene-1,3,5-triol
• 2CYH3FN39A
• NSC-235165
• UNII-2CYH3FN39A
• 5-(2,4,6-Trihydroxyphenoxy)-1,2,3-benzenetriol
• NSC235165
• 5-(2,4,6-TRIHYDROXYPHENOXY)BENZENE-1,2,3-TRIOL
• DTXSID60310995
• Q4904815

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	98.23%	91.11%
CHEMBL1860	P10827	Thyroid hormone receptor alpha	96.82%	99.15%
CHEMBL3194	P02766	Transthyretin	93.67%	90.71%
CHEMBL1929	P47989	Xanthine dehydrogenase	90.18%	96.12%
CHEMBL4208	P20618	Proteasome component C5	88.11%	90.00%
CHEMBL2635	P51452	Dual specificity protein phosphatase 3	86.41%	94.00%
CHEMBL3060	Q9Y345	Glycine transporter 2	85.30%	99.17%
CHEMBL215	P09917	Arachidonate 5-lipoxygenase	80.38%	92.68%
CHEMBL2424	Q04760	Glyoxalase I	80.10%	91.67%

Plants that contains it

There are no matching plants.

Cross-Links

• PubChem: 314874
• LOTUS: LTS0160961
• wikiData: Q4904815