(20-Hydroxy-11,12-dimethyl-5,14-dioxo-6,18-dioxapentacyclo[10.7.1.04,8.08,20.015,19]icosa-3,15(19),16-trien-10-yl) acetate
| Internal ID | c67ba341-674b-44d6-9f6a-5f688f5c4d19 |
| Taxonomy | Organoheterocyclic compounds > Cycloheptafurans |
| IUPAC Name | (20-hydroxy-11,12-dimethyl-5,14-dioxo-6,18-dioxapentacyclo[10.7.1.04,8.08,20.015,19]icosa-3,15(19),16-trien-10-yl) acetate |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C22H24O7/c1-11-17(29-12(2)23)9-21-10-28-19(25)15(21)5-4-14-18-13(6-7-27-18)16(24)8-20(11,3)22(14,21)26/h5-7,11,14,17,26H,4,8-10H2,1-3H3 |
| InChI Key | QPELONIXWRZFNT-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C22H24O7 |
| Molecular Weight | 400.40 g/mol |
| Exact Mass | 400.15220310 g/mol |
| Topological Polar Surface Area (TPSA) | 103.00 Ų |
| XlogP | 1.60 |
| There are no found synonyms. |
![2D Structure of (20-Hydroxy-11,12-dimethyl-5,14-dioxo-6,18-dioxapentacyclo[10.7.1.04,8.08,20.015,19]icosa-3,15(19),16-trien-10-yl) acetate](https://plantaedb.com/storage/docs/compounds/2023/11/1a605a70-873c-11ee-b66d-a93492c16364.jpg "2D Structure of (20-Hydroxy-11,12-dimethyl-5,14-dioxo-6,18-dioxapentacyclo[10.7.1.04,8.08,20.015,19]icosa-3,15(19),16-trien-10-yl) 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 |
|---|---|---|---|---|
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 98.22% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 97.70% | 98.95% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 93.78% | 96.77% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 93.03% | 96.09% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 92.81% | 95.56% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 89.53% | 91.49% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 89.43% | 86.33% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 89.00% | 82.69% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 88.67% | 85.14% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 88.35% | 97.25% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 86.11% | 94.45% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 85.20% | 97.14% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 84.68% | 89.00% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 84.29% | 100.00% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 84.05% | 97.09% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 83.69% | 91.19% |
| CHEMBL3922 | P50579 | Methionine aminopeptidase 2 | 82.94% | 97.28% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 82.70% | 99.23% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 82.32% | 94.00% |
| CHEMBL4481 | P35228 | Nitric oxide synthase, inducible | 81.89% | 94.80% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 81.16% | 95.89% |
| CHEMBL2039 | P27338 | Monoamine oxidase B | 80.44% | 92.51% |
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.
| Salvia mexicana |
| PubChem | 163047319 |
| LOTUS | LTS0060634 |
| wikiData | Q105225336 |