15-Butanoyl-8,9-dihydroxy-7-methoxy-6,18-dimethyl-3,5,19-trioxapentacyclo[11.6.1.02,10.04,9.016,20]icosa-1(20),2(10),12,15,17-pentaene-11,14-dione
| Internal ID | 123eb7a2-4928-4e58-9ed3-c9c9fa75def9 |
| Taxonomy | Organoheterocyclic compounds > Cycloheptapyrans |
| IUPAC Name | 15-butanoyl-8,9-dihydroxy-7-methoxy-6,18-dimethyl-3,5,19-trioxapentacyclo[11.6.1.02,10.04,9.016,20]icosa-1(20),2(10),12,15,17-pentaene-11,14-dione |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C24H24O9/c1-5-6-13(25)16-11-7-9(2)31-20-15(11)12(18(16)27)8-14(26)17-21(20)33-23-24(17,29)22(28)19(30-4)10(3)32-23/h7-8,10,19,22-23,28-29H,5-6H2,1-4H3 |
| InChI Key | GPTONKSPQNETHU-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C24H24O9 |
| Molecular Weight | 456.40 g/mol |
| Exact Mass | 456.14203234 g/mol |
| Topological Polar Surface Area (TPSA) | 129.00 Ų |
| XlogP | -0.70 |
| There are no found synonyms. |
![2D Structure of 15-Butanoyl-8,9-dihydroxy-7-methoxy-6,18-dimethyl-3,5,19-trioxapentacyclo[11.6.1.02,10.04,9.016,20]icosa-1(20),2(10),12,15,17-pentaene-11,14-dione](https://plantaedb.com/storage/docs/compounds/2023/11/19fe67f0-85c3-11ee-8487-41a9f28b612e.jpg "2D Structure of 15-Butanoyl-8,9-dihydroxy-7-methoxy-6,18-dimethyl-3,5,19-trioxapentacyclo[11.6.1.02,10.04,9.016,20]icosa-1(20),2(10),12,15,17-pentaene-11,14-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 |
|---|---|---|---|---|
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 95.61% | 99.23% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 94.62% | 89.00% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 94.54% | 96.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 94.29% | 98.95% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 94.26% | 86.33% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 93.72% | 91.11% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 90.72% | 95.56% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 87.59% | 91.19% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 87.43% | 97.09% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 87.30% | 90.17% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 86.29% | 95.89% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 85.40% | 93.03% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 84.24% | 94.00% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 84.22% | 100.00% |
| CHEMBL4685 | P14902 | Indoleamine 2,3-dioxygenase | 83.54% | 96.38% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 83.36% | 92.94% |
| CHEMBL3922 | P50579 | Methionine aminopeptidase 2 | 83.20% | 97.28% |
| CHEMBL4481 | P35228 | Nitric oxide synthase, inducible | 81.78% | 94.80% |
| CHEMBL5255 | O00206 | Toll-like receptor 4 | 81.68% | 92.50% |
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 | 162814663 |
| LOTUS | LTS0086136 |
| wikiData | Q104167370 |