2-Lauroleic acid

Details

• Internal ID: 593024ac-d8be-4b62-af2c-40127a2a7e61
• Taxonomy: Lipids and lipid-like molecules > Fatty Acyls > Fatty acids and conjugates > Medium-chain fatty acids
• IUPAC Name: dodec-2-enoic acid
• SMILES (Canonical): CCCCCCCCCC=CC(=O)O
• SMILES (Isomeric): CCCCCCCCCC=CC(=O)O
• InChI: InChI=1S/C12H22O2/c1-2-3-4-5-6-7-8-9-10-11-12(13)14/h10-11H,2-9H2,1H3,(H,13,14)
• InChI Key: PAWGRNGPMLVJQH-UHFFFAOYSA-N
• Popularity: 11 references in papers

Physical and Chemical Properties

• Molecular Formula: C₁₂H₂₂O₂
• Molecular Weight: 198.30 g/mol
• Exact Mass: 198.161979940 g/mol
• Topological Polar Surface Area (TPSA): 37.30 Ų
• XlogP: 4.80

Synonyms

• 2-lauroleic acid
• C12:1n-10
• (2Z)-2-Dodecenoic acid
• dodecenic acid
• SCHEMBL248281
• DTXSID80871073
• PAWGRNGPMLVJQH-UHFFFAOYSA-N
• BCP10360
• LMFA01030037
• FT-0639028
• FT-0653995

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	95.24%	99.17%
CHEMBL4769	O95749	Geranylgeranyl pyrophosphate synthetase	91.99%	92.08%
CHEMBL221	P23219	Cyclooxygenase-1	91.64%	90.17%
CHEMBL3892	Q99500	Sphingosine 1-phosphate receptor Edg-3	89.80%	97.29%
CHEMBL230	P35354	Cyclooxygenase-2	87.20%	89.63%
CHEMBL2581	P07339	Cathepsin D	86.27%	98.95%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	85.94%	96.09%
CHEMBL1781	P11387	DNA topoisomerase I	85.13%	97.00%
CHEMBL4793	Q86TI2	Dipeptidyl peptidase IX	84.68%	96.95%
CHEMBL2955	O95136	Sphingosine 1-phosphate receptor Edg-5	82.02%	92.86%
CHEMBL2274	Q9H228	Sphingosine 1-phosphate receptor Edg-8	81.63%	100.00%
CHEMBL3359	P21462	Formyl peptide receptor 1	80.73%	93.56%

Plants that contains it

• Eryngium foetidum

Cross-Links

• PubChem: 96204
• LOTUS: LTS0051058
• wikiData: Q27117632