(1S,3R,7R,13R)-13-methyl-6-methylidene-4,14,16-trioxatetracyclo[11.2.1.01,10.03,7]hexadeca-9,11-dien-5-one
| Internal ID | e9725ff6-f18e-4bc5-b2af-f4ca1e75fba0 |
| Taxonomy | Organic oxygen compounds > Organooxygen compounds > Ethers > Acetals > Ketals |
| IUPAC Name | (1S,3R,7R,13R)-13-methyl-6-methylidene-4,14,16-trioxatetracyclo[11.2.1.01,10.03,7]hexadeca-9,11-dien-5-one |
| SMILES (Canonical) | CC12C=CC3=CCC4C(CC3(O1)CO2)OC(=O)C4=C |
| SMILES (Isomeric) | C[C@]12C=CC3=CC[C@H]4[C@@H](C[C@@]3(O1)CO2)OC(=O)C4=C |
| InChI | InChI=1S/C15H16O4/c1-9-11-4-3-10-5-6-14(2)17-8-15(10,19-14)7-12(11)18-13(9)16/h3,5-6,11-12H,1,4,7-8H2,2H3/t11-,12-,14-,15-/m1/s1 |
| InChI Key | GDXJFEUROGCPHQ-QHSBEEBCSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C15H16O4 |
| Molecular Weight | 260.28 g/mol |
| Exact Mass | 260.10485899 g/mol |
| Topological Polar Surface Area (TPSA) | 44.80 Ų |
| XlogP | 1.20 |
| There are no found synonyms. |
![2D Structure of (1S,3R,7R,13R)-13-methyl-6-methylidene-4,14,16-trioxatetracyclo[11.2.1.01,10.03,7]hexadeca-9,11-dien-5-one](https://plantaedb.com/storage/docs/compounds/2023/11/c9a11690-8768-11ee-9a5c-9971e6eb33b3.jpg "2D Structure of (1S,3R,7R,13R)-13-methyl-6-methylidene-4,14,16-trioxatetracyclo[11.2.1.01,10.03,7]hexadeca-9,11-dien-5-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 | 96.64% | 91.11% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 92.79% | 97.25% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 91.88% | 95.56% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 91.46% | 94.45% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 89.42% | 91.49% |
| CHEMBL2996 | Q05655 | Protein kinase C delta | 89.19% | 97.79% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 86.39% | 99.23% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 85.09% | 97.09% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 83.51% | 100.00% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 82.93% | 93.40% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 81.96% | 89.00% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 81.02% | 86.33% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 80.75% | 94.75% |
| CHEMBL2094127 | P06493 | Cyclin-dependent kinase 1/cyclin B | 80.60% | 96.00% |
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.
| Geigeria plumosa |
| PubChem | 15559581 |
| LOTUS | LTS0217247 |
| wikiData | Q105007016 |