[(1S,3R,5R,7S,10S,11E)-1-hydroxy-3,6,6,10,14-pentamethyl-2,13-dioxo-10-tricyclo[10.3.0.05,7]pentadeca-11,14-dienyl] acetate
| Internal ID | 5a5574d3-bf9c-47db-bb2d-be6eba467b7f |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Diterpenoids |
| IUPAC Name | [(1S,3R,5R,7S,10S,11E)-1-hydroxy-3,6,6,10,14-pentamethyl-2,13-dioxo-10-tricyclo[10.3.0.05,7]pentadeca-11,14-dienyl] acetate |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C22H30O5/c1-12-9-16-15(20(16,4)5)7-8-21(6,27-14(3)23)11-17-18(24)13(2)10-22(17,26)19(12)25/h10-12,15-16,26H,7-9H2,1-6H3/b17-11-/t12-,15+,16-,21+,22+/m1/s1 |
| InChI Key | XSYOQHXPCXHECP-ZYHVABQOSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C22H30O5 |
| Molecular Weight | 374.50 g/mol |
| Exact Mass | 374.20932405 g/mol |
| Topological Polar Surface Area (TPSA) | 80.70 Ų |
| XlogP | 2.90 |
| There are no found synonyms. |
![2D Structure of [(1S,3R,5R,7S,10S,11E)-1-hydroxy-3,6,6,10,14-pentamethyl-2,13-dioxo-10-tricyclo[10.3.0.05,7]pentadeca-11,14-dienyl] acetate](https://plantaedb.com/storage/docs/compounds/2023/11/76feec70-8573-11ee-9c51-e3f9860e8da2.jpg "2D Structure of [(1S,3R,5R,7S,10S,11E)-1-hydroxy-3,6,6,10,14-pentamethyl-2,13-dioxo-10-tricyclo[10.3.0.05,7]pentadeca-11,14-dienyl] acetate")
| 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 | 96.19% | 96.09% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 95.27% | 85.14% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 88.85% | 100.00% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 88.42% | 97.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 88.16% | 91.11% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 88.07% | 82.69% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 87.86% | 95.56% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 87.25% | 89.00% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 86.04% | 94.45% |
| CHEMBL2581 | P07339 | Cathepsin D | 84.69% | 98.95% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 83.79% | 99.23% |
| CHEMBL3351 | Q13085 | Acetyl-CoA carboxylase 1 | 81.69% | 93.04% |
| CHEMBL4481 | P35228 | Nitric oxide synthase, inducible | 80.95% | 94.80% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 80.77% | 97.14% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 80.53% | 92.94% |
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.
| Jatropha multifida |
| PubChem | 163054454 |
| LOTUS | LTS0161295 |
| wikiData | Q105341369 |