ocimumoside A
| Internal ID | 38df88db-556a-4fe2-89fb-6502511ac74a |
| Taxonomy | Lipids and lipid-like molecules > Glycerolipids > Glycosylglycerols > Glycosyldiacylglycerols |
| IUPAC Name | [(2S)-1-[(2S,3R,4S,5S,6R)-6-(aminomethyl)-3,4,5-trihydroxyoxan-2-yl]oxy-3-hexadecanoyloxypropan-2-yl] docosanoate |
| SMILES (Canonical) | CCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC1C(C(C(C(O1)CN)O)O)O)COC(=O)CCCCCCCCCCCCCCC |
| SMILES (Isomeric) | CCCCCCCCCCCCCCCCCCCCCC(=O)O[C@@H](CO[C@@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CN)O)O)O)COC(=O)CCCCCCCCCCCCCCC |
| InChI | InChI=1S/C47H91NO9/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-24-26-28-30-32-34-36-43(50)56-40(39-55-47-46(53)45(52)44(51)41(37-48)57-47)38-54-42(49)35-33-31-29-27-25-23-16-14-12-10-8-6-4-2/h40-41,44-47,51-53H,3-39,48H2,1-2H3/t40-,41-,44-,45+,46-,47+/m1/s1 |
| InChI Key | BZZSCXPOEAFLES-NUTCYAROSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C47H91NO9 |
| Molecular Weight | 814.20 g/mol |
| Exact Mass | 813.66938348 g/mol |
| Topological Polar Surface Area (TPSA) | 158.00 Ų |
| XlogP | 15.40 |
| CHEMBL400056 |
| [(2S)-1-[(2S,3R,4S,5S,6R)-6-(aminomethyl)-3,4,5-trihydroxyoxan-2-yl]oxy-3-hexadecanoyloxypropan-2-yl] docosanoate |
| Target | Value | Probability (raw) | Probability (%) |
|---|---|---|---|
| No predicted properties yet! | |||
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 | 98.07% | 96.09% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 97.89% | 99.17% |
| CHEMBL335 | P18031 | Protein-tyrosine phosphatase 1B | 95.63% | 95.17% |
| CHEMBL5255 | O00206 | Toll-like receptor 4 | 95.61% | 92.50% |
| CHEMBL2581 | P07339 | Cathepsin D | 94.51% | 98.95% |
| CHEMBL299 | P17252 | Protein kinase C alpha | 93.72% | 98.03% |
| CHEMBL2265 | P23141 | Acyl coenzyme A:cholesterol acyltransferase | 93.66% | 85.94% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 91.49% | 91.11% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 90.57% | 96.95% |
| CHEMBL3892 | Q99500 | Sphingosine 1-phosphate receptor Edg-3 | 90.02% | 97.29% |
| CHEMBL3475 | P05121 | Plasminogen activator inhibitor-1 | 89.70% | 83.00% |
| CHEMBL2955 | O95136 | Sphingosine 1-phosphate receptor Edg-5 | 88.60% | 92.86% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 86.83% | 100.00% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 86.10% | 94.73% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 84.77% | 93.56% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 84.62% | 96.47% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 84.31% | 100.00% |
| CHEMBL1293316 | Q9HBX9 | Relaxin receptor 1 | 83.96% | 82.50% |
| CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 83.52% | 97.21% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 82.37% | 97.09% |
| CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 82.13% | 94.33% |
| CHEMBL4769 | O95749 | Geranylgeranyl pyrophosphate synthetase | 81.70% | 92.08% |
| CHEMBL2996 | Q05655 | Protein kinase C delta | 80.45% | 97.79% |
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.
To see more specific details click the taxa you are interested in.
| Ocimum tenuiflorum |
| PubChem | 23643935 |
| LOTUS | LTS0084622 |
| wikiData | Q104950785 |