5-Acetyl-1,12-dimethyl-10-oxatetracyclo[7.6.1.02,7.012,16]hexadeca-5,7-dien-11-one
| Internal ID | 9c4536b9-6469-4305-b160-ddbc8da0c827 |
| Taxonomy | Organoheterocyclic compounds > Naphthofurans |
| IUPAC Name | 5-acetyl-1,12-dimethyl-10-oxatetracyclo[7.6.1.02,7.012,16]hexadeca-5,7-dien-11-one |
| SMILES (Canonical) | CC(=O)C1=CC2=CC3C4C(C2CC1)(CCCC4(C(=O)O3)C)C |
| SMILES (Isomeric) | CC(=O)C1=CC2=CC3C4C(C2CC1)(CCCC4(C(=O)O3)C)C |
| InChI | InChI=1S/C19H24O3/c1-11(20)12-5-6-14-13(9-12)10-15-16-18(14,2)7-4-8-19(16,3)17(21)22-15/h9-10,14-16H,4-8H2,1-3H3 |
| InChI Key | LRYKWHACOCKPKB-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C19H24O3 |
| Molecular Weight | 300.40 g/mol |
| Exact Mass | 300.17254462 g/mol |
| Topological Polar Surface Area (TPSA) | 43.40 Ų |
| XlogP | 3.20 |
| There are no found synonyms. |
![2D Structure of 5-Acetyl-1,12-dimethyl-10-oxatetracyclo[7.6.1.02,7.012,16]hexadeca-5,7-dien-11-one](https://plantaedb.com/storage/docs/compounds/2023/11/5-acetyl-112-dimethyl-10-oxatetracyclo76102701216hexadeca-57-dien-11-one.jpg "2D Structure of 5-Acetyl-1,12-dimethyl-10-oxatetracyclo[7.6.1.02,7.012,16]hexadeca-5,7-dien-11-one")
| 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 | 93.64% | 91.11% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 91.10% | 97.25% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 90.87% | 94.45% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 90.20% | 96.09% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 89.22% | 100.00% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 86.03% | 95.56% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 85.82% | 99.23% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 85.43% | 89.00% |
| CHEMBL2581 | P07339 | Cathepsin D | 85.16% | 98.95% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 83.57% | 97.09% |
| CHEMBL3351 | Q13085 | Acetyl-CoA carboxylase 1 | 82.95% | 93.04% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 82.63% | 82.69% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 81.51% | 95.89% |
| CHEMBL5255 | O00206 | Toll-like receptor 4 | 81.36% | 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.
| Juniperus chinensis |
| PubChem | 162998688 |
| LOTUS | LTS0075341 |
| wikiData | Q105156398 |