Triacontyl tetracosanoate

Details

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Internal ID c7b58ba0-86b1-44ec-84ee-2524d0a91a08
Taxonomy Lipids and lipid-like molecules > Fatty Acyls > Fatty acid esters > Wax esters > Wax monoesters
IUPAC Name triacontyl tetracosanoate
SMILES (Canonical) CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCOC(=O)CCCCCCCCCCCCCCCCCCCCCCC
SMILES (Isomeric) CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCOC(=O)CCCCCCCCCCCCCCCCCCCCCCC
InChI InChI=1S/C54H108O2/c1-3-5-7-9-11-13-15-17-19-21-23-25-26-27-28-29-30-31-33-35-37-39-41-43-45-47-49-51-53-56-54(55)52-50-48-46-44-42-40-38-36-34-32-24-22-20-18-16-14-12-10-8-6-4-2/h3-53H2,1-2H3
InChI Key JFWJJUJNMBUSTI-UHFFFAOYSA-N
Popularity 0 references in papers

Physical and Chemical Properties

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Molecular Formula C54H108O2
Molecular Weight 789.40 g/mol
Exact Mass 788.83493268 g/mol
Topological Polar Surface Area (TPSA) 26.30 Ų
XlogP 27.10

Synonyms

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36283-90-6
myricyl lignocerate
Triacontyl lignocerate
Tetracosanoic acid, triacontyl ester
04ZQ2HSG1L
triacontyltetracosanoate
UNII-04ZQ2HSG1L
SCHEMBL10614311
DTXSID40415750
AKOS024391058

2D Structure

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2D Structure of Triacontyl 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
CHEMBL3060 Q9Y345 Glycine transporter 2 96.91% 99.17%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 95.96% 96.09%
CHEMBL4769 O95749 Geranylgeranyl pyrophosphate synthetase 93.74% 92.08%
CHEMBL3892 Q99500 Sphingosine 1-phosphate receptor Edg-3 93.37% 97.29%
CHEMBL2265 P23141 Acyl coenzyme A:cholesterol acyltransferase 91.20% 85.94%
CHEMBL230 P35354 Cyclooxygenase-2 90.93% 89.63%
CHEMBL2581 P07339 Cathepsin D 89.09% 98.95%
CHEMBL299 P17252 Protein kinase C alpha 87.08% 98.03%
CHEMBL2885 P07451 Carbonic anhydrase III 84.93% 87.45%
CHEMBL2001 Q9H244 Purinergic receptor P2Y12 84.01% 96.00%
CHEMBL5043 Q6P179 Endoplasmic reticulum aminopeptidase 2 83.53% 91.81%
CHEMBL5255 O00206 Toll-like receptor 4 83.45% 92.50%
CHEMBL253 P34972 Cannabinoid CB2 receptor 80.92% 97.25%
CHEMBL2111367 P27986 PI3-kinase p110-alpha/p85-alpha 80.62% 94.33%
CHEMBL2274 Q9H228 Sphingosine 1-phosphate receptor Edg-8 80.24% 100.00%

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.
Taxus baccata

Cross-Links

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PubChem 5319355
LOTUS LTS0253921
wikiData Q82224728