Agn-PC-03dkhq
| Internal ID | 5af5215a-51c9-4cfa-a117-f140ce66c926 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Diterpenoids > Kaurane diterpenoids |
| IUPAC Name | [14-(acetyloxymethyl)-14-hydroxy-5,9-dimethyl-6-oxo-5-tetracyclo[11.2.1.01,10.04,9]hexadecanyl]methyl acetate |
| SMILES (Canonical) | CC(=O)OCC1(C2CCC34CC(CCC3C2(CCC1=O)C)C(C4)(COC(=O)C)O)C |
| SMILES (Isomeric) | CC(=O)OCC1(C2CCC34CC(CCC3C2(CCC1=O)C)C(C4)(COC(=O)C)O)C |
| InChI | InChI=1S/C24H36O6/c1-15(25)29-13-22(4)18-7-10-23-11-17(24(28,12-23)14-30-16(2)26)5-6-19(23)21(18,3)9-8-20(22)27/h17-19,28H,5-14H2,1-4H3 |
| InChI Key | YXNJBOPJNBXMGA-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C24H36O6 |
| Molecular Weight | 420.50 g/mol |
| Exact Mass | 420.25118886 g/mol |
| Topological Polar Surface Area (TPSA) | 89.90 Ų |
| XlogP | 3.00 |
| AGN-PC-03DKHQ |
| DTXSID50413909 |
| 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 |
|---|---|---|---|---|
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 98.01% | 97.25% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 94.84% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 92.69% | 96.09% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 90.30% | 82.69% |
| CHEMBL2581 | P07339 | Cathepsin D | 89.90% | 98.95% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 89.47% | 96.77% |
| CHEMBL4685 | P14902 | Indoleamine 2,3-dioxygenase | 89.16% | 96.38% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 88.45% | 94.45% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 88.35% | 97.09% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 86.25% | 94.75% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 84.21% | 92.62% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 82.80% | 100.00% |
| CHEMBL5028 | O14672 | ADAM10 | 81.09% | 97.50% |
| CHEMBL299 | P17252 | Protein kinase C alpha | 80.89% | 98.03% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 80.62% | 86.33% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 80.05% | 91.19% |
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.
| Plectranthus purpuratus |
| PubChem | 5259660 |
| LOTUS | LTS0161258 |
| wikiData | Q82222372 |