2,3-Dihydroxypropyl tetracosanoate

Details

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Internal ID 7f63a2fa-6599-4270-882b-112bf865f3a8
Taxonomy Lipids and lipid-like molecules > Glycerolipids > Monoradylglycerols > Monoacylglycerols > 1-monoacylglycerols
IUPAC Name 2,3-dihydroxypropyl tetracosanoate
SMILES (Canonical) CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(CO)O
SMILES (Isomeric) CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(CO)O
InChI InChI=1S/C27H54O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-27(30)31-25-26(29)24-28/h26,28-29H,2-25H2,1H3
InChI Key KIWLCEXSSGNBJU-UHFFFAOYSA-N
Popularity 11 references in papers

Physical and Chemical Properties

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Molecular Formula C27H54O4
Molecular Weight 442.70 g/mol
Exact Mass 442.40221020 g/mol
Topological Polar Surface Area (TPSA) 66.80 Ų
XlogP 10.70

Synonyms

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2,3-DIHYDROXYPROPYL TETRACOSANOATE
Tetracosanoic acid, 2,3-dihydroxypropyl ester
MG 24:0
1-lignoceroylglycerol
1-tetracosanoylglycerol
1-acylglycerol 24:0
glyceryl-1-tetracosanoate
1-O-(tetracosanoyl)glycerol
SCHEMBL4427359
2,3-dihydroxypropyltetracosanoate
There are more than 10 synonyms. If you wish to see them all click here.

2D Structure

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2D Structure of 2,3-Dihydroxypropyl tetracosanoate

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 97.01% 96.09%
CHEMBL3892 Q99500 Sphingosine 1-phosphate receptor Edg-3 96.96% 97.29%
CHEMBL3060 Q9Y345 Glycine transporter 2 96.79% 99.17%
CHEMBL230 P35354 Cyclooxygenase-2 95.56% 89.63%
CHEMBL2581 P07339 Cathepsin D 95.13% 98.95%
CHEMBL2265 P23141 Acyl coenzyme A:cholesterol acyltransferase 93.25% 85.94%
CHEMBL2955 O95136 Sphingosine 1-phosphate receptor Edg-5 91.99% 92.86%
CHEMBL4769 O95749 Geranylgeranyl pyrophosphate synthetase 88.27% 92.08%
CHEMBL299 P17252 Protein kinase C alpha 87.70% 98.03%
CHEMBL2274 Q9H228 Sphingosine 1-phosphate receptor Edg-8 86.52% 100.00%
CHEMBL253 P34972 Cannabinoid CB2 receptor 84.70% 97.25%
CHEMBL5043 Q6P179 Endoplasmic reticulum aminopeptidase 2 84.30% 91.81%
CHEMBL2885 P07451 Carbonic anhydrase III 84.26% 87.45%
CHEMBL4227 P25090 Lipoxin A4 receptor 82.87% 100.00%
CHEMBL4793 Q86TI2 Dipeptidyl peptidase IX 82.68% 96.95%
CHEMBL3359 P21462 Formyl peptide receptor 1 82.48% 93.56%
CHEMBL340 P08684 Cytochrome P450 3A4 82.01% 91.19%
CHEMBL1907591 P30926 Neuronal acetylcholine receptor; alpha4/beta4 81.23% 100.00%
CHEMBL5255 O00206 Toll-like receptor 4 80.59% 92.50%
CHEMBL2111367 P27986 PI3-kinase p110-alpha/p85-alpha 80.57% 94.33%
CHEMBL1075094 Q16236 Nuclear factor erythroid 2-related factor 2 80.25% 96.00%

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.
Begonia nantoensis
Betula alnoides
Caragana sinica
Cassia fistula
Drymaria cordata
Magnolia grandiflora
Munronia pinnata
Philotheca rhomboidea
Styrax hookeri

Cross-Links

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PubChem 14542801
LOTUS LTS0027049
wikiData Q74417675