6'-Ethyl-21-hydroxy-5',11,13,22-tetramethylspiro[3,7,19-trioxatetracyclo[15.6.1.14,8.020,24]pentacosa-1(24),10,14,16,20,22-hexaene-6,2'-oxane]-2,18-dione
| Internal ID | f22c8310-55f4-44dd-994f-4a35fec07b27 |
| Taxonomy | Phenylpropanoids and polyketides > Macrolides and analogues |
| IUPAC Name | 6'-ethyl-21-hydroxy-5',11,13,22-tetramethylspiro[3,7,19-trioxatetracyclo[15.6.1.14,8.020,24]pentacosa-1(24),10,14,16,20,22-hexaene-6,2'-oxane]-2,18-dione |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C32H40O7/c1-6-26-20(4)12-13-32(39-26)17-23-16-22(38-32)11-10-19(3)14-18(2)8-7-9-24-27-25(31(35)36-23)15-21(5)28(33)29(27)37-30(24)34/h7-10,15,18,20,22-23,26,33H,6,11-14,16-17H2,1-5H3 |
| InChI Key | GJGIJDGGPGXLMB-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C32H40O7 |
| Molecular Weight | 536.70 g/mol |
| Exact Mass | 536.27740361 g/mol |
| Topological Polar Surface Area (TPSA) | 91.30 Ų |
| XlogP | 6.80 |
| There are no found synonyms. |
![2D Structure of 6'-Ethyl-21-hydroxy-5',11,13,22-tetramethylspiro[3,7,19-trioxatetracyclo[15.6.1.14,8.020,24]pentacosa-1(24),10,14,16,20,22-hexaene-6,2'-oxane]-2,18-dione](https://plantaedb.com/storage/docs/compounds/2023/11/0b235720-8319-11ee-a19b-fb22c5cd271d.jpg "2D Structure of 6'-Ethyl-21-hydroxy-5',11,13,22-tetramethylspiro[3,7,19-trioxatetracyclo[15.6.1.14,8.020,24]pentacosa-1(24),10,14,16,20,22-hexaene-6,2'-oxane]-2,18-dione")
| 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 | 98.95% | 91.11% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 95.49% | 95.56% |
| CHEMBL218 | P21554 | Cannabinoid CB1 receptor | 94.95% | 96.61% |
| CHEMBL2581 | P07339 | Cathepsin D | 93.16% | 98.95% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 91.92% | 86.33% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 90.53% | 96.09% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 90.23% | 94.73% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 90.07% | 89.00% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 89.78% | 97.09% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 89.39% | 97.25% |
| CHEMBL4481 | P35228 | Nitric oxide synthase, inducible | 88.88% | 94.80% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 87.48% | 99.23% |
| CHEMBL3880 | P07900 | Heat shock protein HSP 90-alpha | 87.46% | 96.21% |
| CHEMBL5966 | P55899 | IgG receptor FcRn large subunit p51 | 86.03% | 90.93% |
| CHEMBL4530 | P00488 | Coagulation factor XIII | 85.53% | 96.00% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 84.52% | 94.00% |
| CHEMBL3713062 | P10646 | Tissue factor pathway inhibitor | 83.65% | 97.33% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 82.31% | 96.95% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 82.21% | 95.89% |
| CHEMBL3568 | P29475 | Nitric-oxide synthase, brain | 82.18% | 95.46% |
| CHEMBL1902 | P62942 | FK506-binding protein 1A | 81.79% | 97.05% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 81.48% | 93.03% |
| CHEMBL2069156 | Q14145 | Kelch-like ECH-associated protein 1 | 80.96% | 82.38% |
| CHEMBL3004 | P33527 | Multidrug resistance-associated protein 1 | 80.59% | 96.37% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 80.48% | 100.00% |
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 | 162814583 |
| LOTUS | LTS0107268 |
| wikiData | Q104167218 |