C24 Phytoceramide (t18:0/24:0)

Details

Top
Internal ID ac7eab1b-315f-4b70-abd3-fd05aad890ae
Taxonomy Lipids and lipid-like molecules > Sphingolipids > Ceramides > Phytoceramides
IUPAC Name N-(1,3,4-trihydroxyoctadecan-2-yl)tetracosanamide
SMILES (Canonical) CCCCCCCCCCCCCCCCCCCCCCCC(=O)NC(CO)C(C(CCCCCCCCCCCCCC)O)O
SMILES (Isomeric) CCCCCCCCCCCCCCCCCCCCCCCC(=O)NC(CO)C(C(CCCCCCCCCCCCCC)O)O
InChI InChI=1S/C42H85NO4/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-25-27-29-31-33-35-37-41(46)43-39(38-44)42(47)40(45)36-34-32-30-28-26-16-14-12-10-8-6-4-2/h39-40,42,44-45,47H,3-38H2,1-2H3,(H,43,46)
InChI Key ZESJDNWGTANZCC-UHFFFAOYSA-N
Popularity 0 references in papers

Physical and Chemical Properties

Top
Molecular Formula C42H85NO4
Molecular Weight 668.10 g/mol
Exact Mass 667.64786019 g/mol
Topological Polar Surface Area (TPSA) 89.80 Ų
XlogP 16.60

Synonyms

Top
SCHEMBL4140933
Cer 18:0;3O/24:0

2D Structure

Top
2D Structure of C24 Phytoceramide (t18:0/24:0)

3D Structure

Top

ADMET Properties (via admetSAR 2)

Top
Target Value Probability (raw) Probability (%)
No predicted properties yet!

Targets

Top

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
CHEMBL4040 P28482 MAP kinase ERK2 99.63% 83.82%
CHEMBL2581 P07339 Cathepsin D 98.51% 98.95%
CHEMBL3892 Q99500 Sphingosine 1-phosphate receptor Edg-3 97.88% 97.29%
CHEMBL230 P35354 Cyclooxygenase-2 97.64% 89.63%
CHEMBL3060 Q9Y345 Glycine transporter 2 97.46% 99.17%
CHEMBL2955 O95136 Sphingosine 1-phosphate receptor Edg-5 95.22% 92.86%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 92.94% 96.09%
CHEMBL299 P17252 Protein kinase C alpha 92.13% 98.03%
CHEMBL4769 O95749 Geranylgeranyl pyrophosphate synthetase 89.33% 92.08%
CHEMBL1907591 P30926 Neuronal acetylcholine receptor; alpha4/beta4 89.19% 100.00%
CHEMBL3359 P21462 Formyl peptide receptor 1 89.04% 93.56%
CHEMBL5043 Q6P179 Endoplasmic reticulum aminopeptidase 2 88.26% 91.81%
CHEMBL2265 P23141 Acyl coenzyme A:cholesterol acyltransferase 87.43% 85.94%
CHEMBL3130 O00329 PI3-kinase p110-delta subunit 86.03% 96.47%
CHEMBL4227 P25090 Lipoxin A4 receptor 83.65% 100.00%
CHEMBL3401 O75469 Pregnane X receptor 83.14% 94.73%
CHEMBL5255 O00206 Toll-like receptor 4 82.83% 92.50%
CHEMBL1907602 P06493 Cyclin-dependent kinase 1/cyclin B1 82.35% 91.24%
CHEMBL335 P18031 Protein-tyrosine phosphatase 1B 81.57% 95.17%
CHEMBL2274 Q9H228 Sphingosine 1-phosphate receptor Edg-8 81.24% 100.00%
CHEMBL3976 Q9UHL4 Dipeptidyl peptidase II 81.19% 92.29%
CHEMBL5845 P23415 Glycine receptor subunit alpha-1 81.14% 90.71%
CHEMBL256 P0DMS8 Adenosine A3 receptor 80.68% 95.93%
CHEMBL1944495 P28065 Proteasome subunit beta type-9 80.35% 97.50%

Plants that contains it

Top
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.
Physalis philadelphica

Cross-Links

Top
PubChem 14653935
LOTUS LTS0087787
wikiData Q105373647