1-Hydroxyoctadecan-3-one

Details

• Internal ID: 39f0d607-c41f-4974-9295-644894c567f7
• Taxonomy: Lipids and lipid-like molecules > Fatty Acyls > Fatty alcohols > Long-chain fatty alcohols
• IUPAC Name: 1-hydroxyoctadecan-3-one
• InChI: InChI=1S/C18H36O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18(20)16-17-19/h19H,2-17H2,1H3
• InChI Key: GUXGPSBHTJHEQG-UHFFFAOYSA-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): 37.30 Ų
• XlogP: 6.50

Synonyms

• 10575-28-7
• SCHEMBL5708418
• ACon1_001731
• DTXSID90577493
• NCGC00180196-01

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
CHEMBL230	P35354	Cyclooxygenase-2	94.53%	89.63%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	94.45%	96.09%
CHEMBL3060	Q9Y345	Glycine transporter 2	94.39%	99.17%
CHEMBL4769	O95749	Geranylgeranyl pyrophosphate synthetase	93.07%	92.08%
CHEMBL3892	Q99500	Sphingosine 1-phosphate receptor Edg-3	93.03%	97.29%
CHEMBL2581	P07339	Cathepsin D	92.02%	98.95%
CHEMBL2265	P23141	Acyl coenzyme A:cholesterol acyltransferase	91.36%	85.94%
CHEMBL5043	Q6P179	Endoplasmic reticulum aminopeptidase 2	85.94%	91.81%
CHEMBL2885	P07451	Carbonic anhydrase III	84.98%	87.45%
CHEMBL2955	O95136	Sphingosine 1-phosphate receptor Edg-5	84.69%	92.86%
CHEMBL253	P34972	Cannabinoid CB2 receptor	84.23%	97.25%
CHEMBL4793	Q86TI2	Dipeptidyl peptidase IX	84.03%	96.95%
CHEMBL299	P17252	Protein kinase C alpha	83.87%	98.03%
CHEMBL2274	Q9H228	Sphingosine 1-phosphate receptor Edg-8	81.76%	100.00%

Plants that contains it

• Cochlospermum tinctorium

Cross-Links

• PubChem: 15726204
• LOTUS: LTS0115957
• wikiData: Q82467519