5-Methoxy-2,12-dimethyl-6-methylidene-16-oxapentacyclo[10.3.2.15,8.01,11.02,8]octadecane-7,17-dione
| Internal ID | ed269645-3122-4462-b2fe-58a2c86eac9b |
| Taxonomy | Organoheterocyclic compounds > Naphthofurans |
| IUPAC Name | 5-methoxy-2,12-dimethyl-6-methylidene-16-oxapentacyclo[10.3.2.15,8.01,11.02,8]octadecane-7,17-dione |
| SMILES (Canonical) | CC12CCCC3(C1CCC45C3(CCC(C4)(C(=C)C5=O)OC)C)OC2=O |
| SMILES (Isomeric) | CC12CCCC3(C1CCC45C3(CCC(C4)(C(=C)C5=O)OC)C)OC2=O |
| InChI | InChI=1S/C21H28O4/c1-13-15(22)19-9-6-14-17(2)7-5-8-21(14,25-16(17)23)18(19,3)10-11-20(13,12-19)24-4/h14H,1,5-12H2,2-4H3 |
| InChI Key | UCXBBKCPRLOQQA-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C21H28O4 |
| Molecular Weight | 344.40 g/mol |
| Exact Mass | 344.19875937 g/mol |
| Topological Polar Surface Area (TPSA) | 52.60 Ų |
| XlogP | 2.70 |
| There are no found synonyms. |
![2D Structure of 5-Methoxy-2,12-dimethyl-6-methylidene-16-oxapentacyclo[10.3.2.15,8.01,11.02,8]octadecane-7,17-dione](https://plantaedb.com/storage/docs/compounds/2023/11/5-methoxy-212-dimethyl-6-methylidene-16-oxapentacyclo10321580111028octadecane-717-dione.jpg "2D Structure of 5-Methoxy-2,12-dimethyl-6-methylidene-16-oxapentacyclo[10.3.2.15,8.01,11.02,8]octadecane-7,17-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 |
|---|---|---|---|---|
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 93.62% | 91.11% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 89.24% | 97.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 88.85% | 98.95% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 88.75% | 97.25% |
| CHEMBL1871 | P10275 | Androgen Receptor | 87.44% | 96.43% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 86.06% | 97.14% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 85.64% | 95.89% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 83.91% | 96.09% |
| CHEMBL1902 | P62942 | FK506-binding protein 1A | 83.62% | 97.05% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 82.71% | 94.45% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 82.33% | 95.56% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 81.92% | 99.23% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 81.84% | 100.00% |
| CHEMBL4481 | P35228 | Nitric oxide synthase, inducible | 81.50% | 94.80% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 80.80% | 82.69% |
| CHEMBL2069156 | Q14145 | Kelch-like ECH-associated protein 1 | 80.59% | 82.38% |
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.
| Parinari capensis |
| PubChem | 5150157 |
| LOTUS | LTS0202529 |
| wikiData | Q105270211 |