[10-Hydroxy-8-[(4-hydroxy-5,6-dimethyl-2-oxopyran-3-yl)methyl]-4,4,7a,11b-tetramethyl-9-methylidene-1,2,3,5a,6,7,8,10,11,11a-decahydronaphtho[2,1-b]oxepin-3-yl] 8-methyldeca-2,4,6-trienoate
| Internal ID | f5edd935-e4e5-420c-b5ae-06ea85a4ca4e |
| Taxonomy | Organoheterocyclic compounds > Oxepanes |
| IUPAC Name | [10-hydroxy-8-[(4-hydroxy-5,6-dimethyl-2-oxopyran-3-yl)methyl]-4,4,7a,11b-tetramethyl-9-methylidene-1,2,3,5a,6,7,8,10,11,11a-decahydronaphtho[2,1-b]oxepin-3-yl] 8-methyldeca-2,4,6-trienoate |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C38H54O7/c1-10-23(2)15-13-11-12-14-16-33(40)44-31-17-20-38(9)30-22-29(39)25(4)28(21-27-34(41)24(3)26(5)43-35(27)42)37(30,8)19-18-32(38)45-36(31,6)7/h11-16,23,28-32,39,41H,4,10,17-22H2,1-3,5-9H3 |
| InChI Key | NPVINQWQGDQAJA-UHFFFAOYSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C38H54O7 |
| Molecular Weight | 622.80 g/mol |
| Exact Mass | 622.38695406 g/mol |
| Topological Polar Surface Area (TPSA) | 102.00 Ų |
| XlogP | 6.90 |
| There are no found synonyms. |
![2D Structure of [10-Hydroxy-8-[(4-hydroxy-5,6-dimethyl-2-oxopyran-3-yl)methyl]-4,4,7a,11b-tetramethyl-9-methylidene-1,2,3,5a,6,7,8,10,11,11a-decahydronaphtho[2,1-b]oxepin-3-yl] 8-methyldeca-2,4,6-trienoate](https://plantaedb.com/storage/docs/compounds/2023/11/cad9fcf0-84dd-11ee-9f62-455b129e50e0.jpg "2D Structure of [10-Hydroxy-8-[(4-hydroxy-5,6-dimethyl-2-oxopyran-3-yl)methyl]-4,4,7a,11b-tetramethyl-9-methylidene-1,2,3,5a,6,7,8,10,11,11a-decahydronaphtho[2,1-b]oxepin-3-yl] 8-methyldeca-2,4,6-trienoate")
| 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 | 97.85% | 91.11% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 94.94% | 94.45% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 94.58% | 89.00% |
| CHEMBL2581 | P07339 | Cathepsin D | 94.34% | 98.95% |
| CHEMBL218 | P21554 | Cannabinoid CB1 receptor | 90.95% | 96.61% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 90.93% | 94.75% |
| CHEMBL230 | P35354 | Cyclooxygenase-2 | 90.36% | 89.63% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 90.32% | 95.56% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 90.31% | 97.09% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 90.13% | 96.95% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 87.38% | 93.56% |
| CHEMBL1293267 | Q9HC97 | G-protein coupled receptor 35 | 86.28% | 89.34% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 86.10% | 96.00% |
| CHEMBL204 | P00734 | Thrombin | 85.08% | 96.01% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 84.73% | 91.19% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 84.66% | 95.89% |
| CHEMBL3922 | P50579 | Methionine aminopeptidase 2 | 84.27% | 97.28% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 83.31% | 100.00% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 82.92% | 94.73% |
| CHEMBL1871 | P10275 | Androgen Receptor | 82.38% | 96.43% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 82.03% | 90.17% |
| CHEMBL3145 | P42338 | PI3-kinase p110-beta subunit | 81.94% | 98.75% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 81.62% | 94.00% |
| CHEMBL5163 | Q9NY46 | Sodium channel protein type III alpha subunit | 81.51% | 96.90% |
| CHEMBL2996 | Q05655 | Protein kinase C delta | 81.01% | 97.79% |
| CHEMBL1977 | P11473 | Vitamin D receptor | 80.50% | 99.43% |
| CHEMBL3880 | P07900 | Heat shock protein HSP 90-alpha | 80.18% | 96.21% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 80.04% | 99.23% |
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 | 76179135 |
| LOTUS | LTS0079735 |
| wikiData | Q104179890 |