Docosapentenoic acid

Details

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Internal ID a5cdd6df-bee8-4725-931f-ef4e04f658c7
Taxonomy Lipids and lipid-like molecules > Fatty Acyls > Fatty acids and conjugates > Very long-chain fatty acids
IUPAC Name docosa-2,4,6,8,10-pentaenoic acid
SMILES (Canonical)
SMILES (Isomeric)
InChI InChI=1S/C22H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(23)24/h12-21H,2-11H2,1H3,(H,23,24)
InChI Key YEKFYCQGYMVFKR-UHFFFAOYSA-N
Popularity 422 references in papers

Physical and Chemical Properties

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Molecular Formula C22H34O2
Molecular Weight 330.50 g/mol
Exact Mass 330.255880323 g/mol
Topological Polar Surface Area (TPSA) 37.30 Ų
XlogP 8.50

Synonyms

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SCHEMBL20749

2D Structure

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2D Structure of Docosapentenoic acid

3D Structure

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ADMET Properties (via admetSAR 2)

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Target Value Probability (raw) Probability (%)
No predicted properties yet!

Targets

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Proven Targets:

CHEMBL ID UniProt ID Name Min activity Assay type Source
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 93.00% 92.08%
CHEMBL230 P35354 Cyclooxygenase-2 92.41% 89.63%
CHEMBL221 P23219 Cyclooxygenase-1 91.43% 90.17%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 88.63% 96.09%
CHEMBL3892 Q99500 Sphingosine 1-phosphate receptor Edg-3 88.53% 97.29%
CHEMBL2581 P07339 Cathepsin D 88.33% 98.95%
CHEMBL4793 Q86TI2 Dipeptidyl peptidase IX 87.97% 96.95%
CHEMBL2955 O95136 Sphingosine 1-phosphate receptor Edg-5 84.83% 92.86%
CHEMBL1781 P11387 DNA topoisomerase I 82.93% 97.00%
CHEMBL2274 Q9H228 Sphingosine 1-phosphate receptor Edg-8 81.28% 100.00%
CHEMBL1293267 Q9HC97 G-protein coupled receptor 35 81.20% 89.34%
CHEMBL3359 P21462 Formyl peptide receptor 1 80.73% 93.56%
CHEMBL2001 Q9H244 Purinergic receptor P2Y12 80.63% 96.00%

Plants that contains it

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Below are displayed all the plants proven (via scientific papers) to contain this compound!
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There are no matching plants.

Cross-Links

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PubChem 3035421
LOTUS LTS0218556
wikiData Q105347278