(8E,12Z)-10,11-dihydroxyoctadeca-8,12-dienoic acid

Details

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Internal ID 1d056291-45b9-47e8-b679-2905bf59ce38
Taxonomy Lipids and lipid-like molecules > Fatty Acyls > Lineolic acids and derivatives
IUPAC Name (8E,12Z)-10,11-dihydroxyoctadeca-8,12-dienoic acid
SMILES (Canonical)
SMILES (Isomeric)
InChI InChI=1S/C18H32O4/c1-2-3-4-7-10-13-16(19)17(20)14-11-8-5-6-9-12-15-18(21)22/h10-11,13-14,16-17,19-20H,2-9,12,15H2,1H3,(H,21,22)/b13-10-,14-11+
InChI Key GJGSSMGEAZMVTN-FXYWYECCSA-N
Popularity 4 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) 77.80 Ų
XlogP 4.10

Synonyms

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There are no found synonyms.

2D Structure

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2D Structure of (8E,12Z)-10,11-dihydroxyoctadeca-8,12-dienoic 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 98.05% 98.95%
CHEMBL3060 Q9Y345 Glycine transporter 2 98.01% 99.17%
CHEMBL4769 O95749 Geranylgeranyl pyrophosphate synthetase 96.26% 92.08%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 95.46% 96.09%
CHEMBL230 P35354 Cyclooxygenase-2 94.69% 89.63%
CHEMBL2265 P23141 Acyl coenzyme A:cholesterol acyltransferase 92.02% 85.94%
CHEMBL3359 P21462 Formyl peptide receptor 1 91.66% 93.56%
CHEMBL3892 Q99500 Sphingosine 1-phosphate receptor Edg-3 91.11% 97.29%
CHEMBL1781 P11387 DNA topoisomerase I 89.95% 97.00%
CHEMBL221 P23219 Cyclooxygenase-1 89.92% 90.17%
CHEMBL2001 Q9H244 Purinergic receptor P2Y12 88.29% 96.00%
CHEMBL5285 Q99683 Mitogen-activated protein kinase kinase kinase 5 85.76% 92.26%
CHEMBL4227 P25090 Lipoxin A4 receptor 84.91% 100.00%
CHEMBL1907591 P30926 Neuronal acetylcholine receptor; alpha4/beta4 83.27% 100.00%
CHEMBL1907 P15144 Aminopeptidase N 82.05% 93.31%
CHEMBL2274 Q9H228 Sphingosine 1-phosphate receptor Edg-8 80.54% 100.00%
CHEMBL5043 Q6P179 Endoplasmic reticulum aminopeptidase 2 80.16% 91.81%
CHEMBL3130 O00329 PI3-kinase p110-delta subunit 80.14% 96.47%
CHEMBL4793 Q86TI2 Dipeptidyl peptidase IX 80.09% 96.95%
CHEMBL2111367 P27986 PI3-kinase p110-alpha/p85-alpha 80.01% 94.33%

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 138393168
LOTUS LTS0096040
wikiData Q75065172