(15-Methyl-6,14-dioxo-8,13,17-trioxahexacyclo[14.2.2.11,12.02,10.05,9.015,21]henicos-5(9)-en-16-yl) acetate
| Internal ID | 7cb81707-2a05-4040-922a-d582e4f0473c |
| Taxonomy | Organoheterocyclic compounds > Naphthopyrans |
| IUPAC Name | (15-methyl-6,14-dioxo-8,13,17-trioxahexacyclo[14.2.2.11,12.02,10.05,9.015,21]henicos-5(9)-en-16-yl) acetate |
| SMILES (Canonical) | CC(=O)OC12CCC3(CO1)C4CCC5=C(C4CC6C3C2(C(=O)O6)C)OCC5=O |
| SMILES (Isomeric) | CC(=O)OC12CCC3(CO1)C4CCC5=C(C4CC6C3C2(C(=O)O6)C)OCC5=O |
| InChI | InChI=1S/C21H24O7/c1-10(22)28-21-6-5-20(9-26-21)13-4-3-11-14(23)8-25-16(11)12(13)7-15-17(20)19(21,2)18(24)27-15/h12-13,15,17H,3-9H2,1-2H3 |
| InChI Key | DVMSTNFJSIIPLD-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C21H24O7 |
| Molecular Weight | 388.40 g/mol |
| Exact Mass | 388.15220310 g/mol |
| Topological Polar Surface Area (TPSA) | 88.10 Ų |
| XlogP | 1.50 |
| There are no found synonyms. |
![2D Structure of (15-Methyl-6,14-dioxo-8,13,17-trioxahexacyclo[14.2.2.11,12.02,10.05,9.015,21]henicos-5(9)-en-16-yl) acetate](https://plantaedb.com/storage/docs/compounds/2023/11/8417de10-845a-11ee-9904-7184a1bfade7.jpg "2D Structure of (15-Methyl-6,14-dioxo-8,13,17-trioxahexacyclo[14.2.2.11,12.02,10.05,9.015,21]henicos-5(9)-en-16-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 |
|---|---|---|---|---|
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 98.20% | 94.45% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 97.40% | 97.25% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 96.15% | 96.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 93.04% | 91.11% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 91.55% | 96.77% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 90.90% | 100.00% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 89.72% | 97.09% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 88.87% | 85.14% |
| CHEMBL3351 | Q13085 | Acetyl-CoA carboxylase 1 | 88.66% | 93.04% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 87.07% | 99.23% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 86.17% | 91.19% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 84.63% | 95.56% |
| CHEMBL1907605 | P24864 | Cyclin-dependent kinase 2/cyclin E1 | 84.07% | 92.88% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 82.49% | 92.62% |
| CHEMBL2581 | P07339 | Cathepsin D | 81.29% | 98.95% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 81.08% | 89.00% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 80.25% | 93.03% |
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.
| Casimirella rupestris |
| PubChem | 162909578 |
| LOTUS | LTS0176973 |
| wikiData | Q104166445 |