5-[(2R,4S)-4-methyloxolan-2-yl]-2-[(2S,4S)-4-methyloxolan-2-yl]benzene-1,4-diol

Details

• Internal ID: 3f8983c4-ff9c-4f08-8f95-1978e6d94f9e
• Taxonomy: Benzenoids > Phenols > Benzenediols > Hydroquinones
• IUPAC Name: 5-[(2R,4S)-4-methyloxolan-2-yl]-2-[(2S,4S)-4-methyloxolan-2-yl]benzene-1,4-diol
• InChI: InChI=1S/C16H22O4/c1-9-3-15(19-7-9)11-5-14(18)12(6-13(11)17)16-4-10(2)8-20-16/h5-6,9-10,15-18H,3-4,7-8H2,1-2H3/t9-,10-,15-,16+/m0/s1
• InChI Key: VWWSDOAXICNGRC-VUKUWZNJSA-N
• Popularity: 0 references in papers

Physical and Chemical Properties

• Molecular Formula: C₁₆H₂₂O₄
• Molecular Weight: 278.34 g/mol
• Exact Mass: 278.15180918 g/mol
• Topological Polar Surface Area (TPSA): 58.90 Ų
• XlogP: 2.40

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	96.61%	91.11%
CHEMBL253	P34972	Cannabinoid CB2 receptor	92.84%	97.25%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	91.13%	96.09%
CHEMBL2581	P07339	Cathepsin D	85.77%	98.95%
CHEMBL241	Q14432	Phosphodiesterase 3A	85.37%	92.94%
CHEMBL1951	P21397	Monoamine oxidase A	84.06%	91.49%
CHEMBL4208	P20618	Proteasome component C5	83.73%	90.00%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	82.53%	95.56%
CHEMBL1806	P11388	DNA topoisomerase II alpha	81.69%	89.00%
CHEMBL5845	P23415	Glycine receptor subunit alpha-1	81.65%	90.71%
CHEMBL2335	P42785	Lysosomal Pro-X carboxypeptidase	81.32%	100.00%
CHEMBL1293249	Q13887	Kruppel-like factor 5	81.24%	86.33%
CHEMBL5697	Q9GZT9	Egl nine homolog 1	80.94%	93.40%
CHEMBL226	P30542	Adenosine A1 receptor	80.67%	95.93%

Plants that contains it

• Heliotropium sarmentosum

Cross-Links

• PubChem: 163094159
• LOTUS: LTS0074229
• wikiData: Q105298316