(5E,8E,11R,12E,14E)-11-hydroxyicosa-5,8,12,14-tetraenoic acid

Details

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Internal ID 8f10f9bf-e954-4fd6-b8b4-04069a50763a
Taxonomy Lipids and lipid-like molecules > Fatty Acyls > Eicosanoids > Hydroxyeicosatetraenoic acids
IUPAC Name (5E,8E,11R,12E,14E)-11-hydroxyicosa-5,8,12,14-tetraenoic acid
SMILES (Canonical) CCCCCC=CC=CC(CC=CCC=CCCCC(=O)O)O
SMILES (Isomeric) CCCCC/C=C/C=C/[C@@H](C/C=C/C/C=C/CCCC(=O)O)O
InChI InChI=1S/C20H32O3/c1-2-3-4-5-7-10-13-16-19(21)17-14-11-8-6-9-12-15-18-20(22)23/h6-7,9-11,13-14,16,19,21H,2-5,8,12,15,17-18H2,1H3,(H,22,23)/b9-6+,10-7+,14-11+,16-13+/t19-/m0/s1
InChI Key GCZRCCHPLVMMJE-UEFJMJDMSA-N
Popularity 1 reference in papers

Physical and Chemical Properties

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Molecular Formula C20H32O3
Molecular Weight 320.50 g/mol
Exact Mass 320.23514488 g/mol
Topological Polar Surface Area (TPSA) 57.50 Ų
XlogP 5.20

Synonyms

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There are no found synonyms.

2D Structure

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2D Structure of (5E,8E,11R,12E,14E)-11-hydroxyicosa-5,8,12,14-tetraenoic 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 98.35% 98.95%
CHEMBL3060 Q9Y345 Glycine transporter 2 97.62% 99.17%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 94.43% 96.09%
CHEMBL230 P35354 Cyclooxygenase-2 93.80% 89.63%
CHEMBL1781 P11387 DNA topoisomerase I 92.07% 97.00%
CHEMBL2265 P23141 Acyl coenzyme A:cholesterol acyltransferase 91.55% 85.94%
CHEMBL221 P23219 Cyclooxygenase-1 91.35% 90.17%
CHEMBL3359 P21462 Formyl peptide receptor 1 89.65% 93.56%
CHEMBL4769 O95749 Geranylgeranyl pyrophosphate synthetase 86.89% 92.08%
CHEMBL2001 Q9H244 Purinergic receptor P2Y12 85.69% 96.00%
CHEMBL3892 Q99500 Sphingosine 1-phosphate receptor Edg-3 84.70% 97.29%
CHEMBL1075094 Q16236 Nuclear factor erythroid 2-related factor 2 83.61% 96.00%
CHEMBL4227 P25090 Lipoxin A4 receptor 83.54% 100.00%
CHEMBL1907591 P30926 Neuronal acetylcholine receptor; alpha4/beta4 82.20% 100.00%

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 92966498
LOTUS LTS0108561
wikiData Q105006591