5-(3,4,5-Trihydroxyphenoxy)benzene-1,2,3-triol

Details

• Internal ID: 3c77edbc-baa7-447e-b62f-d6ae7148bbc3
• Taxonomy: Benzenoids > Benzene and substituted derivatives > Diphenylethers
• IUPAC Name: 5-(3,4,5-trihydroxyphenoxy)benzene-1,2,3-triol
• SMILES (Canonical): C1=C(C=C(C(=C1O)O)O)OC2=CC(=C(C(=C2)O)O)O
• SMILES (Isomeric): C1=C(C=C(C(=C1O)O)O)OC2=CC(=C(C(=C2)O)O)O
• InChI: InChI=1S/C12H10O7/c13-7-1-5(2-8(14)11(7)17)19-6-3-9(15)12(18)10(16)4-6/h1-4,13-18H
• InChI Key: GGONJNBMBUFWFW-UHFFFAOYSA-N
• Popularity: 1 reference 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

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	97.81%	91.11%
CHEMBL1860	P10827	Thyroid hormone receptor alpha	95.36%	99.15%
CHEMBL3194	P02766	Transthyretin	91.19%	90.71%
CHEMBL4208	P20618	Proteasome component C5	84.96%	90.00%
CHEMBL2635	P51452	Dual specificity protein phosphatase 3	84.40%	94.00%
CHEMBL215	P09917	Arachidonate 5-lipoxygenase	83.23%	92.68%
CHEMBL3060	Q9Y345	Glycine transporter 2	82.78%	99.17%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	81.90%	95.56%
CHEMBL1951	P21397	Monoamine oxidase A	81.61%	91.49%

Plants that contains it

There are no matching plants.

Cross-Links

• PubChem: 14020540
• LOTUS: LTS0166618
• wikiData: Q105008250