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(5Z,8R,9E,11Z,14Z,17Z)-8-hydroperoxyicosa-5,9,11,14,17-pentaenoic acid

Table of Contents

Details
Physical and Chemical Properties
Synonyms
2D Structure
3D Structure
ADMET Properties
Targets (proven and/or predicted)
Plants that contains it
Cross-Links

Details

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Internal ID 73beffa3-9c54-40ec-bbd1-3945f08ba9b2
Taxonomy Lipids and lipid-like molecules > Fatty Acyls > Eicosanoids > Hydroperoxyeicosapentaenoic acids
IUPAC Name (5Z,8R,9E,11Z,14Z,17Z)-8-hydroperoxyicosa-5,9,11,14,17-pentaenoic acid
SMILES (Canonical) CCC=CCC=CCC=CC=CC(CC=CCCCC(=O)O)OO
SMILES (Isomeric) CC/C=C\C/C=C\C/C=C\C=C\[C@@H](C/C=C\CCCC(=O)O)OO
InChI InChI=1S/C20H30O4/c1-2-3-4-5-6-7-8-9-10-13-16-19(24-23)17-14-11-12-15-18-20(21)22/h3-4,6-7,9-11,13-14,16,19,23H,2,5,8,12,15,17-18H2,1H3,(H,21,22)/b4-3-,7-6-,10-9-,14-11-,16-13+/t19-/m0/s1
InChI Key FKUQDPQMNVKDHV-CLXNAOOQSA-N
Popularity 0 references in papers

Physical and Chemical Properties

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Molecular Formula C20H30O4
Molecular Weight 334.40 g/mol
Exact Mass 334.21440943 g/mol
Topological Polar Surface Area (TPSA) 66.80 Ų
XlogP 4.50

Synonyms

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CHEBI:136662
(5Z,8R,9E,11Z,14Z,17Z)-8-hydroperoxyicosapentaenoic acid
(8R)-hydroperoxy-(5Z,9E,11Z,14Z,17Z)-eicosapentaenoic acid
(8R)-hydroperoxy-(5Z,9E,11Z,14Z,17Z)-icosapentaenoic acid
(5Z,8R,9E,11Z,14Z,17Z)-8-hydroperoxyicosa-5,9,11,14,17-pentaenoic acid

2D Structure

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2D Structure of (5Z,8R,9E,11Z,14Z,17Z)-8-hydroperoxyicosa-5,9,11,14,17-pentaenoic 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 96.74% 99.17%
CHEMBL2581 P07339 Cathepsin D 95.91% 98.95%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 95.79% 96.09%
CHEMBL1781 P11387 DNA topoisomerase I 84.24% 97.00%
CHEMBL3359 P21462 Formyl peptide receptor 1 83.93% 93.56%
CHEMBL1075094 Q16236 Nuclear factor erythroid 2-related factor 2 83.51% 96.00%
CHEMBL4793 Q86TI2 Dipeptidyl peptidase IX 82.17% 96.95%
CHEMBL2072 P35499 Sodium channel protein type IV alpha subunit 81.72% 92.32%
CHEMBL4227 P25090 Lipoxin A4 receptor 80.84% 100.00%
CHEMBL1293249 Q13887 Kruppel-like factor 5 80.38% 86.33%
CHEMBL1907591 P30926 Neuronal acetylcholine receptor; alpha4/beta4 80.26% 100.00%

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.
There are no matching plants.

Cross-Links

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PubChem 123132032
LOTUS LTS0046006
wikiData Q104996808