[(2R)-2,3-dihydroxypropyl] (2E,4E,6S)-6-methylocta-2,4-dienoate

Details

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Internal ID 7665e29e-dd47-4824-b38a-2d605b74b5ef
Taxonomy Lipids and lipid-like molecules > Glycerolipids > Monoradylglycerols > Monoacylglycerols > 1-monoacylglycerols
IUPAC Name [(2R)-2,3-dihydroxypropyl] (2E,4E,6S)-6-methylocta-2,4-dienoate
SMILES (Canonical)
SMILES (Isomeric)
InChI InChI=1S/C12H20O4/c1-3-10(2)6-4-5-7-12(15)16-9-11(14)8-13/h4-7,10-11,13-14H,3,8-9H2,1-2H3/b6-4+,7-5+/t10-,11+/m0/s1
InChI Key NOGDBKGCSWHQHI-SXAAAOJCSA-N
Popularity 2 references in papers

Physical and Chemical Properties

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Molecular Formula C12H20O4
Molecular Weight 228.28 g/mol
Exact Mass 228.13615911 g/mol
Topological Polar Surface Area (TPSA) 66.80 Ų
XlogP 1.60

Synonyms

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There are no found synonyms.

2D Structure

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2D Structure of [(2R)-2,3-dihydroxypropyl] (2E,4E,6S)-6-methylocta-2,4-dienoate

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
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 94.89% 96.09%
CHEMBL4040 P28482 MAP kinase ERK2 90.10% 83.82%
CHEMBL202 P00374 Dihydrofolate reductase 89.28% 89.92%
CHEMBL1075094 Q16236 Nuclear factor erythroid 2-related factor 2 89.03% 96.00%
CHEMBL2581 P07339 Cathepsin D 88.58% 98.95%
CHEMBL3060 Q9Y345 Glycine transporter 2 87.21% 99.17%
CHEMBL3892 Q99500 Sphingosine 1-phosphate receptor Edg-3 86.76% 97.29%
CHEMBL1293267 Q9HC97 G-protein coupled receptor 35 86.49% 89.34%
CHEMBL230 P35354 Cyclooxygenase-2 85.81% 89.63%
CHEMBL1907591 P30926 Neuronal acetylcholine receptor; alpha4/beta4 85.77% 100.00%
CHEMBL253 P34972 Cannabinoid CB2 receptor 84.82% 97.25%
CHEMBL3359 P21462 Formyl peptide receptor 1 83.09% 93.56%
CHEMBL4203 Q9HAZ1 Dual specificity protein kinase CLK4 82.84% 94.45%
CHEMBL4016 P42262 Glutamate receptor ionotropic, AMPA 2 82.07% 86.92%
CHEMBL3145 P42338 PI3-kinase p110-beta subunit 80.64% 98.75%

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 14705336
LOTUS LTS0209274
wikiData Q105182571