9-Methoxy,10,18-dihydroxyoctadecanoic acid

Details

• Internal ID: df9f0bc7-1271-4eca-afbc-b6e1acb50bfc
• Taxonomy: Lipids and lipid-like molecules > Fatty Acyls > Fatty acids and conjugates > Long-chain fatty acids
• IUPAC Name: 10,18-dihydroxy-9-methoxyoctadecanoic acid
• InChI: InChI=1S/C19H38O5/c1-24-18(14-10-6-4-7-11-15-19(22)23)17(21)13-9-5-2-3-8-12-16-20/h17-18,20-21H,2-16H2,1H3,(H,22,23)
• InChI Key: UWTPUSJSDRVPPI-UHFFFAOYSA-N
• Popularity: 1 reference in papers

Physical and Chemical Properties

• Molecular Formula: C₁₉H₃₈O₅
• Molecular Weight: 346.50 g/mol
• Exact Mass: 346.27192431 g/mol
• Topological Polar Surface Area (TPSA): 87.00 Ų
• XlogP: 4.10

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	98.55%	96.09%
CHEMBL3060	Q9Y345	Glycine transporter 2	96.45%	99.17%
CHEMBL4040	P28482	MAP kinase ERK2	95.86%	83.82%
CHEMBL2581	P07339	Cathepsin D	94.70%	98.95%
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	90.06%	91.11%
CHEMBL3892	Q99500	Sphingosine 1-phosphate receptor Edg-3	89.57%	97.29%
CHEMBL3091268	Q92753	Nuclear receptor ROR-beta	84.08%	95.50%
CHEMBL1075094	Q16236	Nuclear factor erythroid 2-related factor 2	83.15%	96.00%
CHEMBL1907591	P30926	Neuronal acetylcholine receptor; alpha4/beta4	80.36%	100.00%
CHEMBL340	P08684	Cytochrome P450 3A4	80.13%	91.19%

Plants that contains it

• Pinus radiata

Cross-Links

• PubChem: 129856981
• LOTUS: LTS0071272
• wikiData: Q105280545