CID 73835852
| Internal ID | 10e223c7-9f1a-4ad5-b9f9-e6e7ffc12af6 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Triterpenoids |
| IUPAC Name | |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C54H76N2O9/c1-26-45-40(63-52(26)14-12-46(3,4)65-52)19-32-30-11-10-28-16-35-37(23-48(28,6)31(30)20-41(58)50(32,45)8)56-36-17-29-18-39(57)44-33(49(29,7)24-38(36)55-35)21-42(59)51(9)34(44)22-43-54(51,61)27(2)53(64-43)15-13-47(5,60)25-62-53/h22,26-33,39-40,42-45,57,59-61H,10-21,23-25H2,1-9H3 |
| InChI Key | SJJDIRLPLCQYDC-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C54H76N2O9 |
| Molecular Weight | 897.20 g/mol |
| Exact Mass | 896.55508201 g/mol |
| Topological Polar Surface Area (TPSA) | 161.00 Ų |
| XlogP | 5.10 |
| There are no found synonyms. |
| 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 | 94.05% | 96.09% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 93.18% | 99.23% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 91.64% | 100.00% |
| CHEMBL204 | P00734 | Thrombin | 91.40% | 96.01% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 89.72% | 86.33% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 88.33% | 95.56% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 87.63% | 97.09% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 87.49% | 82.69% |
| CHEMBL259 | P32245 | Melanocortin receptor 4 | 86.50% | 95.38% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 86.48% | 94.75% |
| CHEMBL2095226 | P05556 | Integrin alpha-5/beta-1 | 85.94% | 96.39% |
| CHEMBL4803 | P29474 | Nitric-oxide synthase, endothelial | 85.28% | 86.00% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 84.92% | 91.11% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 84.02% | 94.00% |
| CHEMBL1871 | P10275 | Androgen Receptor | 83.81% | 96.43% |
| CHEMBL2335 | P42785 | Lysosomal Pro-X carboxypeptidase | 83.58% | 100.00% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 83.56% | 85.14% |
| CHEMBL5028 | O14672 | ADAM10 | 80.63% | 97.50% |
| CHEMBL5163 | Q9NY46 | Sodium channel protein type III alpha subunit | 80.59% | 96.90% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 80.49% | 92.62% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 80.40% | 92.94% |
| CHEMBL4829 | O00763 | Acetyl-CoA carboxylase 2 | 80.04% | 98.00% |
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.
| There are no matching plants. |
| PubChem | 73835852 |
| LOTUS | LTS0131606 |
| wikiData | Q105254333 |