(10R)-10,18-dihydroxyoctadecanoic acid

Details

• Internal ID: 74fcfd36-c91e-44a1-a7a5-f987b24d2eae
• Taxonomy: Lipids and lipid-like molecules > Fatty Acyls > Fatty acids and conjugates > Long-chain fatty acids
• IUPAC Name: (10R)-10,18-dihydroxyoctadecanoic acid
• SMILES (Canonical): C(CCCCC(=O)O)CCCC(CCCCCCCCO)O
• SMILES (Isomeric): C(CCCCC(=O)O)CCC[C@H](CCCCCCCCO)O
• InChI: InChI=1S/C18H36O4/c19-16-12-8-4-3-6-10-14-17(20)13-9-5-1-2-7-11-15-18(21)22/h17,19-20H,1-16H2,(H,21,22)/t17-/m1/s1
• InChI Key: YFRDEHYAUAROBO-QGZVFWFLSA-N
• Popularity: 0 references in papers

Physical and Chemical Properties

• Molecular Formula: C₁₈H₃₆O₄
• Molecular Weight: 316.50 g/mol
• Exact Mass: 316.26135963 g/mol
• Topological Polar Surface Area (TPSA): 77.80 Ų
• XlogP: 4.70

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	95.71%	96.09%
CHEMBL4040	P28482	MAP kinase ERK2	94.61%	83.82%
CHEMBL3060	Q9Y345	Glycine transporter 2	93.46%	99.17%
CHEMBL5285	Q99683	Mitogen-activated protein kinase kinase kinase 5	92.25%	92.26%
CHEMBL2581	P07339	Cathepsin D	91.36%	98.95%
CHEMBL3892	Q99500	Sphingosine 1-phosphate receptor Edg-3	85.69%	97.29%
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	84.61%	91.11%
CHEMBL1907591	P30926	Neuronal acetylcholine receptor; alpha4/beta4	83.57%	100.00%
CHEMBL1781	P11387	DNA topoisomerase I	81.42%	97.00%

Plants that contains it

• Agave americana
• Rosmarinus officinalis

Cross-Links

• PubChem: 163034734
• LOTUS: LTS0081700
• wikiData: Q105347760