14,15-dihydroxy-5Z,8Z,11Z-eicosatrienoic acid

Details

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Internal ID e4d83cfb-80b7-4207-ab5a-e67861d629f5
Taxonomy Lipids and lipid-like molecules > Fatty Acyls > Eicosanoids > Hydroxyeicosatrienoic acids
IUPAC Name (5Z,8Z,11Z)-14,15-dihydroxyicosa-5,8,11-trienoic acid
SMILES (Canonical) CCCCCC(C(CC=CCC=CCC=CCCCC(=O)O)O)O
SMILES (Isomeric) CCCCCC(C(C/C=C\C/C=C\C/C=C\CCCC(=O)O)O)O
InChI InChI=1S/C20H34O4/c1-2-3-12-15-18(21)19(22)16-13-10-8-6-4-5-7-9-11-14-17-20(23)24/h4,6-7,9-10,13,18-19,21-22H,2-3,5,8,11-12,14-17H2,1H3,(H,23,24)/b6-4-,9-7-,13-10-
InChI Key SYAWGTIVOGUZMM-ILYOTBPNSA-N
Popularity 54 references in papers

Physical and Chemical Properties

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Molecular Formula C20H34O4
Molecular Weight 338.50 g/mol
Exact Mass 338.24570956 g/mol
Topological Polar Surface Area (TPSA) 77.80 Ų
XlogP 4.30

Synonyms

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14,15-DiHETrE
14,15-dihydroxyeicosatrienoic Acid
14,15-dihydroxy-5Z,8Z,11Z-eicosatrienoic acid
(+/-)14,15-DiHETrE
(5Z,8Z,11Z)-14,15-Dihydroxyicosa-5,8,11-trienoic acid
CHEBI:63966
(5Z,8Z,11Z)-14,15-Dihydroxyeicosa-5,8,11-trienoic acid
(+/-)14,15-dihydroxy-5z,8z,11z-eicosatrienoic acid
14,15-dihydroxyeicosa-5,8,11-trienoic acid
CHEMBL7514
There are more than 10 synonyms. If you wish to see them all click here.

2D Structure

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2D Structure of 14,15-dihydroxy-5Z,8Z,11Z-eicosatrienoic 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
CHEMBL2581 P07339 Cathepsin D 97.96% 98.95%
CHEMBL3060 Q9Y345 Glycine transporter 2 97.36% 99.17%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 95.02% 96.09%
CHEMBL2265 P23141 Acyl coenzyme A:cholesterol acyltransferase 94.83% 85.94%
CHEMBL1781 P11387 DNA topoisomerase I 90.91% 97.00%
CHEMBL3359 P21462 Formyl peptide receptor 1 89.90% 93.56%
CHEMBL4769 O95749 Geranylgeranyl pyrophosphate synthetase 88.06% 92.08%
CHEMBL4227 P25090 Lipoxin A4 receptor 87.27% 100.00%
CHEMBL3892 Q99500 Sphingosine 1-phosphate receptor Edg-3 87.09% 97.29%
CHEMBL221 P23219 Cyclooxygenase-1 84.17% 90.17%
CHEMBL1907591 P30926 Neuronal acetylcholine receptor; alpha4/beta4 83.80% 100.00%
CHEMBL2001 Q9H244 Purinergic receptor P2Y12 82.47% 96.00%
CHEMBL230 P35354 Cyclooxygenase-2 82.07% 89.63%
CHEMBL1907 P15144 Aminopeptidase N 81.26% 93.31%
CHEMBL1075094 Q16236 Nuclear factor erythroid 2-related factor 2 81.10% 96.00%
CHEMBL5845 P23415 Glycine receptor subunit alpha-1 80.08% 90.71%

Plants that contains it

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Below are displayed all the plants proven (via scientific papers) to contain this compound!
To see more specific details click the taxa you are interested in.
Arabidopsis thaliana

Cross-Links

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PubChem 5283147
LOTUS LTS0186562
wikiData Q27132938