Methyl 9-methyl-15-oxo-5,16-dioxapentacyclo[12.3.3.01,13.02,10.04,8]icosa-4(8),6-diene-14-carboxylate
| Internal ID | d5f50e67-e381-4af8-98e7-8f2c06d8524a |
| Taxonomy | Organoheterocyclic compounds > Naphthopyrans |
| IUPAC Name | methyl 9-methyl-15-oxo-5,16-dioxapentacyclo[12.3.3.01,13.02,10.04,8]icosa-4(8),6-diene-14-carboxylate |
| SMILES (Canonical) | CC1C2CCC3C4(C2CC5=C1C=CO5)CCCC3(C(=O)OC4)C(=O)OC |
| SMILES (Isomeric) | CC1C2CCC3C4(C2CC5=C1C=CO5)CCCC3(C(=O)OC4)C(=O)OC |
| InChI | InChI=1S/C21H26O5/c1-12-13-4-5-17-20(15(13)10-16-14(12)6-9-25-16)7-3-8-21(17,18(22)24-2)19(23)26-11-20/h6,9,12-13,15,17H,3-5,7-8,10-11H2,1-2H3 |
| InChI Key | QNKSEHIPPBVETG-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C21H26O5 |
| Molecular Weight | 358.40 g/mol |
| Exact Mass | 358.17802393 g/mol |
| Topological Polar Surface Area (TPSA) | 65.70 Ų |
| XlogP | 4.00 |
| There are no found synonyms. |
![2D Structure of Methyl 9-methyl-15-oxo-5,16-dioxapentacyclo[12.3.3.01,13.02,10.04,8]icosa-4(8),6-diene-14-carboxylate](https://plantaedb.com/storage/docs/compounds/2023/11/a4888fc0-8554-11ee-999f-45694eda7149.jpg "2D Structure of Methyl 9-methyl-15-oxo-5,16-dioxapentacyclo[12.3.3.01,13.02,10.04,8]icosa-4(8),6-diene-14-carboxylate")
| 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 | 97.19% | 91.11% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 94.36% | 94.45% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 93.75% | 96.09% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 93.63% | 97.25% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 93.36% | 85.14% |
| CHEMBL2581 | P07339 | Cathepsin D | 92.84% | 98.95% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 89.20% | 95.56% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 88.42% | 97.09% |
| CHEMBL4051 | P13569 | Cystic fibrosis transmembrane conductance regulator | 87.28% | 95.71% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 85.14% | 99.23% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 84.83% | 95.89% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 84.80% | 86.33% |
| CHEMBL3713062 | P10646 | Tissue factor pathway inhibitor | 81.83% | 97.33% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 80.63% | 92.62% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 80.23% | 91.19% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 80.02% | 94.00% |
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 | 74333990 |
| LOTUS | LTS0207798 |
| wikiData | Q105224525 |