(1S,2R)-1-(4-methoxyphenyl)-2-[(E)-2-(4-methoxyphenyl)ethenyl]propane-1,3-diol

Details

• Internal ID: 2728a2ec-9ae3-4b1c-a2c2-a6fecb20e97d
• Taxonomy: Lignans, neolignans and related compounds
• IUPAC Name: (1S,2R)-1-(4-methoxyphenyl)-2-[(E)-2-(4-methoxyphenyl)ethenyl]propane-1,3-diol
• InChI: InChI=1S/C19H22O4/c1-22-17-9-4-14(5-10-17)3-6-16(13-20)19(21)15-7-11-18(23-2)12-8-15/h3-12,16,19-21H,13H2,1-2H3/b6-3+/t16-,19-/m1/s1
• InChI Key: IXBNQJYUCZMUCY-JDMDQGRRSA-N
• Popularity: 2 references in papers

Physical and Chemical Properties

• Molecular Formula: C₁₉H₂₂O₄
• Molecular Weight: 314.40 g/mol
• Exact Mass: 314.15180918 g/mol
• Topological Polar Surface Area (TPSA): 58.90 Ų
• XlogP: 2.70

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
CHEMBL1075094	Q16236	Nuclear factor erythroid 2-related factor 2	96.01%	96.00%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	94.80%	96.09%
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	93.30%	91.11%
CHEMBL4208	P20618	Proteasome component C5	92.94%	90.00%
CHEMBL4261	Q16665	Hypoxia-inducible factor 1 alpha	92.71%	85.14%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	91.19%	95.56%
CHEMBL4016	P42262	Glutamate receptor ionotropic, AMPA 2	88.60%	86.92%
CHEMBL3192	Q9BY41	Histone deacetylase 8	88.51%	93.99%
CHEMBL3060	Q9Y345	Glycine transporter 2	88.47%	99.17%
CHEMBL3492	P49721	Proteasome Macropain subunit	87.14%	90.24%
CHEMBL2581	P07339	Cathepsin D	86.87%	98.95%
CHEMBL1293249	Q13887	Kruppel-like factor 5	85.51%	86.33%
CHEMBL4203	Q9HAZ1	Dual specificity protein kinase CLK4	83.47%	94.45%
CHEMBL1907	P15144	Aminopeptidase N	82.20%	93.31%

Plants that contains it

• Libocedrus yateensis

Cross-Links

• PubChem: 163194358
• LOTUS: LTS0094930
• wikiData: Q105122014