4,5-dimethoxy-6-[(1R)-1-methoxy-2-methylpropyl]benzene-1,3-diol

Details

• Internal ID: 29e5d2db-f3a2-48b6-8245-1971973ecba0
• Taxonomy: Benzenoids > Phenols > Methoxyphenols
• IUPAC Name: 4,5-dimethoxy-6-[(1R)-1-methoxy-2-methylpropyl]benzene-1,3-diol
• InChI: InChI=1S/C13H20O5/c1-7(2)11(16-3)10-8(14)6-9(15)12(17-4)13(10)18-5/h6-7,11,14-15H,1-5H3/t11-/m1/s1
• InChI Key: WFNRNVBWJGPMSH-LLVKDONJSA-N
• Popularity: 0 references in papers

Physical and Chemical Properties

• Molecular Formula: C₁₃H₂₀O₅
• Molecular Weight: 256.29 g/mol
• Exact Mass: 256.13107373 g/mol
• Topological Polar Surface Area (TPSA): 68.20 Ų
• XlogP: 2.20

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	95.12%	91.11%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	91.92%	96.09%
CHEMBL1860	P10827	Thyroid hormone receptor alpha	89.51%	99.15%
CHEMBL4203	Q9HAZ1	Dual specificity protein kinase CLK4	87.56%	94.45%
CHEMBL2581	P07339	Cathepsin D	85.16%	98.95%
CHEMBL4208	P20618	Proteasome component C5	84.50%	90.00%
CHEMBL2535	P11166	Glucose transporter	81.73%	98.75%

Plants that contains it

• Helichrysum drakensbergense

Cross-Links

• PubChem: 163102618
• LOTUS: LTS0127786
• wikiData: Q105304087