(1r,2s)-1-(2,4,5-Trimethoxyphenyl)-propane-1,2-diol

Details

• Internal ID: 6d200eea-5065-4b52-81d8-f9e2af825bca
• Taxonomy: Benzenoids > Benzene and substituted derivatives > Phenylpropanes
• IUPAC Name: (1R,2S)-1-(2,4,5-trimethoxyphenyl)propane-1,2-diol
• InChI: InChI=1S/C12H18O5/c1-7(13)12(14)8-5-10(16-3)11(17-4)6-9(8)15-2/h5-7,12-14H,1-4H3/t7-,12-/m0/s1
• InChI Key: ZSTCCLUBWBHJMP-MADCSZMMSA-N
• Popularity: 3 references in papers

Physical and Chemical Properties

• Molecular Formula: C₁₂H₁₈O₅
• Molecular Weight: 242.27 g/mol
• Exact Mass: 242.11542367 g/mol
• Topological Polar Surface Area (TPSA): 68.20 Ų
• XlogP: 0.70

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	95.09%	96.09%
CHEMBL4261	Q16665	Hypoxia-inducible factor 1 alpha	91.19%	85.14%
CHEMBL2581	P07339	Cathepsin D	87.11%	98.95%
CHEMBL4208	P20618	Proteasome component C5	86.26%	90.00%
CHEMBL4040	P28482	MAP kinase ERK2	83.54%	83.82%
CHEMBL2535	P11166	Glucose transporter	82.50%	98.75%
CHEMBL1255126	O15151	Protein Mdm4	82.17%	90.20%
CHEMBL1075094	Q16236	Nuclear factor erythroid 2-related factor 2	81.73%	96.00%
CHEMBL4203	Q9HAZ1	Dual specificity protein kinase CLK4	81.37%	94.45%
CHEMBL1293249	Q13887	Kruppel-like factor 5	80.81%	86.33%
CHEMBL3060	Q9Y345	Glycine transporter 2	80.79%	99.17%

Plants that contains it

• Piper guineense

Cross-Links

• PubChem: 11425018
• LOTUS: LTS0228959
• wikiData: Q105382696