Syringyl propanol

Details

• Internal ID: de0275c6-d0d8-4dda-b8a3-28b260ee6d81
• Taxonomy: Benzenoids > Phenols > Methoxyphenols
• IUPAC Name: 4-(2-hydroxybutyl)-2,6-dimethoxyphenol
• InChI: InChI=1S/C12H18O4/c1-4-9(13)5-8-6-10(15-2)12(14)11(7-8)16-3/h6-7,9,13-14H,4-5H2,1-3H3
• InChI Key: ZRHZYGRMXGKHNE-UHFFFAOYSA-N
• Popularity: 23 references in papers

Physical and Chemical Properties

• Molecular Formula: C₁₂H₁₈O₄
• Molecular Weight: 226.27 g/mol
• Exact Mass: 226.12050905 g/mol
• Topological Polar Surface Area (TPSA): 58.90 Ų
• XlogP: 2.00

Synonyms

• SCHEMBL16758668

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	97.94%	96.09%
CHEMBL2581	P07339	Cathepsin D	94.82%	98.95%
CHEMBL4261	Q16665	Hypoxia-inducible factor 1 alpha	94.40%	85.14%
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	92.02%	91.11%
CHEMBL3060	Q9Y345	Glycine transporter 2	91.63%	99.17%
CHEMBL1255126	O15151	Protein Mdm4	88.64%	90.20%
CHEMBL2373	P21730	C5a anaphylatoxin chemotactic receptor	86.34%	92.62%
CHEMBL2535	P11166	Glucose transporter	85.10%	98.75%
CHEMBL225	P28335	Serotonin 2c (5-HT2c) receptor	83.84%	89.62%
CHEMBL4208	P20618	Proteasome component C5	83.47%	90.00%
CHEMBL4203	Q9HAZ1	Dual specificity protein kinase CLK4	83.41%	94.45%
CHEMBL1293249	Q13887	Kruppel-like factor 5	83.09%	86.33%
CHEMBL1907603	Q05586	Glutamate NMDA receptor; GRIN1/GRIN2B	81.78%	95.89%
CHEMBL215	P09917	Arachidonate 5-lipoxygenase	81.52%	92.68%
CHEMBL3492	P49721	Proteasome Macropain subunit	81.07%	90.24%

Plants that contains it

• Gossypium hirsutum

Cross-Links

• PubChem: 118110362
• LOTUS: LTS0094982
• wikiData: Q105381999