(9Z)-octadec-9-ene-1,18-diol

Details

• Internal ID: d090edaa-b2f0-444f-a2c9-f7b1b83e5ec8
• Taxonomy: Lipids and lipid-like molecules > Fatty Acyls > Fatty alcohols > Long-chain fatty alcohols
• IUPAC Name: (Z)-octadec-9-ene-1,18-diol
• SMILES (Canonical): C(CCCCO)CCCC=CCCCCCCCCO
• SMILES (Isomeric): C(CCCCO)CCC/C=C\CCCCCCCCO
• InChI: InChI=1S/C18H36O2/c19-17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-18-20/h1-2,19-20H,3-18H2/b2-1-
• InChI Key: XUSRQFSIUJWCKT-UPHRSURJSA-N
• Popularity: 2 references in papers

Physical and Chemical Properties

• Molecular Formula: C₁₈H₃₆O₂
• Molecular Weight: 284.50 g/mol
• Exact Mass: 284.271530387 g/mol
• Topological Polar Surface Area (TPSA): 40.50 Ų
• XlogP: 5.90

Synonyms

• SCHEMBL1207736
• (9Z)-octadec-9-ene-1,18-diol
• AKOS026669941

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
CHEMBL3060	Q9Y345	Glycine transporter 2	90.64%	99.17%
CHEMBL2885	P07451	Carbonic anhydrase III	87.80%	87.45%
CHEMBL3975	P09467	Fructose-1,6-bisphosphatase	86.49%	92.95%
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	84.97%	91.11%
CHEMBL3892	Q99500	Sphingosine 1-phosphate receptor Edg-3	84.44%	97.29%
CHEMBL1829	O15379	Histone deacetylase 3	83.27%	95.00%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	82.37%	96.09%
CHEMBL1781	P11387	DNA topoisomerase I	80.60%	97.00%
CHEMBL4793	Q86TI2	Dipeptidyl peptidase IX	80.57%	96.95%

Plants that contains it

• Arabidopsis thaliana

Cross-Links

• PubChem: 87212466
• LOTUS: LTS0171799
• wikiData: Q76802930