1-(4-Hydroxy-3,5-dimethoxyphenyl)ethane-1,2-diol

Details

• Internal ID: f4ed282e-0b05-4a1d-8cc0-272348bb4a06
• Taxonomy: Benzenoids > Phenols > Methoxyphenols
• IUPAC Name: 1-(4-hydroxy-3,5-dimethoxyphenyl)ethane-1,2-diol
• InChI: InChI=1S/C10H14O5/c1-14-8-3-6(7(12)5-11)4-9(15-2)10(8)13/h3-4,7,11-13H,5H2,1-2H3
• InChI Key: XXYZFESYWANMJI-UHFFFAOYSA-N
• Popularity: 0 references in papers

Physical and Chemical Properties

• Molecular Formula: C₁₀H₁₄O₅
• Molecular Weight: 214.21 g/mol
• Exact Mass: 214.08412354 g/mol
• Topological Polar Surface Area (TPSA): 79.20 Ų
• XlogP: 0.00

Synonyms

• SCHEMBL15240924
• 90426-21-4
• EN300-1850893

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	97.10%	91.11%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	97.05%	96.09%
CHEMBL4261	Q16665	Hypoxia-inducible factor 1 alpha	93.75%	85.14%
CHEMBL2581	P07339	Cathepsin D	90.37%	98.95%
CHEMBL1255126	O15151	Protein Mdm4	89.93%	90.20%
CHEMBL3060	Q9Y345	Glycine transporter 2	88.44%	99.17%
CHEMBL1075094	Q16236	Nuclear factor erythroid 2-related factor 2	87.12%	96.00%
CHEMBL225	P28335	Serotonin 2c (5-HT2c) receptor	84.99%	89.62%
CHEMBL4208	P20618	Proteasome component C5	84.61%	90.00%

Plants that contains it

• Chrozophora tinctoria
• Medicosma fareana

Cross-Links

• PubChem: 56627147
• LOTUS: LTS0056798
• wikiData: Q105137839