(1S,2S)-1-(4-hydroxy-3,5-dimethoxyphenyl)propane-1,2-diol

Details

• Internal ID: e0f2083c-e3b9-46a4-9d16-22d818827085
• Taxonomy: Benzenoids > Phenols > Methoxyphenols
• IUPAC Name: (1S,2S)-1-(4-hydroxy-3,5-dimethoxyphenyl)propane-1,2-diol
• InChI: InChI=1S/C11H16O5/c1-6(12)10(13)7-4-8(15-2)11(14)9(5-7)16-3/h4-6,10,12-14H,1-3H3/t6-,10+/m0/s1
• InChI Key: NOLSWZJTRRHKTQ-QUBYGPBYSA-N
• Popularity: 0 references in papers

Physical and Chemical Properties

• Molecular Formula: C₁₁H₁₆O₅
• Molecular Weight: 228.24 g/mol
• Exact Mass: 228.09977361 g/mol
• Topological Polar Surface Area (TPSA): 79.20 Ų
• XlogP: 0.40

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
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	95.48%	96.09%
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	94.46%	91.11%
CHEMBL4261	Q16665	Hypoxia-inducible factor 1 alpha	90.76%	85.14%
CHEMBL1255126	O15151	Protein Mdm4	90.11%	90.20%
CHEMBL2581	P07339	Cathepsin D	89.18%	98.95%
CHEMBL4208	P20618	Proteasome component C5	86.91%	90.00%
CHEMBL1075094	Q16236	Nuclear factor erythroid 2-related factor 2	86.33%	96.00%
CHEMBL2535	P11166	Glucose transporter	83.35%	98.75%
CHEMBL4203	Q9HAZ1	Dual specificity protein kinase CLK4	81.72%	94.45%
CHEMBL3492	P49721	Proteasome Macropain subunit	81.62%	90.24%

Plants that contains it

• Pisonia umbellifera

Cross-Links

• PubChem: 162867204
• LOTUS: LTS0167776
• wikiData: Q105182631