Hydroxydocosenoic acid

Details

• Internal ID: 3e46aac5-dac6-4fe0-a6e3-082193fd4a4f
• Taxonomy: Lipids and lipid-like molecules > Fatty Acyls > Fatty acids and conjugates > Very long-chain fatty acids
• IUPAC Name: 2-hydroxydocos-2-enoic acid
• SMILES (Canonical): CCCCCCCCCCCCCCCCCCCC=C(C(=O)O)O
• SMILES (Isomeric): CCCCCCCCCCCCCCCCCCCC=C(C(=O)O)O
• InChI: InChI=1S/C22H42O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21(23)22(24)25/h20,23H,2-19H2,1H3,(H,24,25)
• InChI Key: HNDJQQFZKKYMGO-UHFFFAOYSA-N
• Popularity: 2 references in papers

Physical and Chemical Properties

• Molecular Formula: C₂₂H₄₂O₃
• Molecular Weight: 354.60 g/mol
• Exact Mass: 354.31339520 g/mol
• Topological Polar Surface Area (TPSA): 57.50 Ų
• XlogP: 10.10

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
CHEMBL3060	Q9Y345	Glycine transporter 2	93.94%	99.17%
CHEMBL4769	O95749	Geranylgeranyl pyrophosphate synthetase	92.51%	92.08%
CHEMBL2581	P07339	Cathepsin D	92.12%	98.95%
CHEMBL221	P23219	Cyclooxygenase-1	89.37%	90.17%
CHEMBL3892	Q99500	Sphingosine 1-phosphate receptor Edg-3	88.13%	97.29%
CHEMBL230	P35354	Cyclooxygenase-2	87.24%	89.63%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	86.52%	96.09%
CHEMBL4793	Q86TI2	Dipeptidyl peptidase IX	83.89%	96.95%
CHEMBL5043	Q6P179	Endoplasmic reticulum aminopeptidase 2	83.52%	91.81%
CHEMBL2955	O95136	Sphingosine 1-phosphate receptor Edg-5	83.18%	92.86%
CHEMBL3359	P21462	Formyl peptide receptor 1	82.30%	93.56%
CHEMBL2274	Q9H228	Sphingosine 1-phosphate receptor Edg-8	80.54%	100.00%
CHEMBL2265	P23141	Acyl coenzyme A:cholesterol acyltransferase	80.04%	85.94%

Plants that contains it

• Allamanda cathartica

Cross-Links

• PubChem: 85610719
• LOTUS: LTS0186531
• wikiData: Q105030811