2-(3,4-Dihydroxyphenyl)oxolane-3,4-diol

Details

• Internal ID: b142054d-4664-4513-83c3-55e869e2878c
• Taxonomy: Organic oxygen compounds > Organooxygen compounds > Carbohydrates and carbohydrate conjugates > Glycosyl compounds > Phenolic glycosides
• IUPAC Name: 2-(3,4-dihydroxyphenyl)oxolane-3,4-diol
• SMILES (Canonical): C1C(C(C(O1)C2=CC(=C(C=C2)O)O)O)O
• SMILES (Isomeric): C1C(C(C(O1)C2=CC(=C(C=C2)O)O)O)O
• InChI: InChI=1S/C10H12O5/c11-6-2-1-5(3-7(6)12)10-9(14)8(13)4-15-10/h1-3,8-14H,4H2
• InChI Key: WAMIDUQDFSIAFF-UHFFFAOYSA-N
• Popularity: 0 references in papers

Physical and Chemical Properties

• Molecular Formula: C₁₀H₁₂O₅
• Molecular Weight: 212.20 g/mol
• Exact Mass: 212.06847348 g/mol
• Topological Polar Surface Area (TPSA): 90.20 Ų
• XlogP: -0.60

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	99.33%	91.11%
CHEMBL1951	P21397	Monoamine oxidase A	99.05%	91.49%
CHEMBL3137262	O60341	LSD1/CoREST complex	90.29%	97.09%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	87.84%	96.09%
CHEMBL1806	P11388	DNA topoisomerase II alpha	86.06%	89.00%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	83.96%	95.56%
CHEMBL226	P30542	Adenosine A1 receptor	83.25%	95.93%
CHEMBL1860	P10827	Thyroid hormone receptor alpha	82.58%	99.15%
CHEMBL2581	P07339	Cathepsin D	82.20%	98.95%

Plants that contains it

There are no matching plants.

Cross-Links

• PubChem: 69577220
• LOTUS: LTS0237297
• wikiData: Q104200050