(8R,9Z,12Z)-8-Hydroperoxy-9,12-octadecadienoic acid

Details

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Internal ID 6995d9a7-6f3d-44dc-88b5-1456c4f8a0a4
Taxonomy Lipids and lipid-like molecules > Fatty Acyls > Lineolic acids and derivatives
IUPAC Name (8R,9Z,12Z)-8-hydroperoxyoctadeca-9,12-dienoic acid
SMILES (Canonical)
SMILES (Isomeric)
InChI InChI=1S/C18H32O4/c1-2-3-4-5-6-7-8-11-14-17(22-21)15-12-9-10-13-16-18(19)20/h6-7,11,14,17,21H,2-5,8-10,12-13,15-16H2,1H3,(H,19,20)/b7-6-,14-11-/t17-/m0/s1
InChI Key RGJSGXNKRWWCOQ-QMEIEYGNSA-N
Popularity 19 references in papers

Physical and Chemical Properties

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Molecular Formula C18H32O4
Molecular Weight 312.40 g/mol
Exact Mass 312.23005950 g/mol
Topological Polar Surface Area (TPSA) 66.80 Ų
XlogP 5.10

Synonyms

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8-Hydroperoxylinoleic acid
143343-95-7
(9Z,12Z)-(8R)-8-Hydroperoxyoctadeca-9,12-dienoic acid
(8R,9Z,12Z)-8-hydroperoxyoctadeca-9,12-dienoic acid
8R-HpODE
8-Hpode
8R-hydroperoxy-9Z,12Z-octadecadienoic acid
(8R,9Z,12Z)-8-hydroperoxyoctadeca-9,12-dienoate
8r-hydroperoxylinoleic acid
8(R)-Hydroperoxylinoleic acid
There are more than 10 synonyms. If you wish to see them all click here.

2D Structure

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2D Structure of (8R,9Z,12Z)-8-Hydroperoxy-9,12-octadecadienoic 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 99.00% 99.17%
CHEMBL2581 P07339 Cathepsin D 98.03% 98.95%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 95.56% 96.09%
CHEMBL4769 O95749 Geranylgeranyl pyrophosphate synthetase 94.34% 92.08%
CHEMBL230 P35354 Cyclooxygenase-2 92.54% 89.63%
CHEMBL2265 P23141 Acyl coenzyme A:cholesterol acyltransferase 92.32% 85.94%
CHEMBL221 P23219 Cyclooxygenase-1 92.20% 90.17%
CHEMBL3359 P21462 Formyl peptide receptor 1 92.15% 93.56%
CHEMBL1781 P11387 DNA topoisomerase I 90.39% 97.00%
CHEMBL3892 Q99500 Sphingosine 1-phosphate receptor Edg-3 87.10% 97.29%
CHEMBL5043 Q6P179 Endoplasmic reticulum aminopeptidase 2 84.44% 91.81%
CHEMBL4227 P25090 Lipoxin A4 receptor 83.99% 100.00%
CHEMBL4793 Q86TI2 Dipeptidyl peptidase IX 83.65% 96.95%
CHEMBL1075094 Q16236 Nuclear factor erythroid 2-related factor 2 83.23% 96.00%
CHEMBL2001 Q9H244 Purinergic receptor P2Y12 82.54% 96.00%
CHEMBL2274 Q9H228 Sphingosine 1-phosphate receptor Edg-8 82.40% 100.00%
CHEMBL1907591 P30926 Neuronal acetylcholine receptor; alpha4/beta4 82.06% 100.00%
CHEMBL1907 P15144 Aminopeptidase N 81.82% 93.31%
CHEMBL5285 Q99683 Mitogen-activated protein kinase kinase kinase 5 81.24% 92.26%
CHEMBL2072 P35499 Sodium channel protein type IV alpha subunit 80.38% 92.32%
CHEMBL4330 Q9NS75 Cysteinyl leukotriene receptor 2 80.26% 98.00%

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 6438758
LOTUS LTS0074178
wikiData Q27116103