1,16-Dimethyl-8,14-dioxapentacyclo[11.6.1.02,11.05,9.016,20]icosa-2(11),5,9-trien-7-one
| Internal ID | 9583d3a2-d52d-4288-8ee5-beea6f84ef5d |
| Taxonomy | Organoheterocyclic compounds > Dihydrofurans > Furanones > Butenolides |
| IUPAC Name | 1,16-dimethyl-8,14-dioxapentacyclo[11.6.1.02,11.05,9.016,20]icosa-2(11),5,9-trien-7-one |
| SMILES (Canonical) | CC12CCCC3(C1C(CC4=C3CCC5=CC(=O)OC5=C4)OC2)C |
| SMILES (Isomeric) | CC12CCCC3(C1C(CC4=C3CCC5=CC(=O)OC5=C4)OC2)C |
| InChI | InChI=1S/C20H24O3/c1-19-6-3-7-20(2)14-5-4-12-10-17(21)23-15(12)8-13(14)9-16(18(19)20)22-11-19/h8,10,16,18H,3-7,9,11H2,1-2H3 |
| InChI Key | ZBHSCYHOBZIYQQ-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C20H24O3 |
| Molecular Weight | 312.40 g/mol |
| Exact Mass | 312.17254462 g/mol |
| Topological Polar Surface Area (TPSA) | 35.50 Ų |
| XlogP | 3.00 |
| There are no found synonyms. |
![2D Structure of 1,16-Dimethyl-8,14-dioxapentacyclo[11.6.1.02,11.05,9.016,20]icosa-2(11),5,9-trien-7-one](https://plantaedb.com/storage/docs/compounds/2023/11/116-dimethyl-814-dioxapentacyclo1161021105901620icosa-21159-trien-7-one.jpg "2D Structure of 1,16-Dimethyl-8,14-dioxapentacyclo[11.6.1.02,11.05,9.016,20]icosa-2(11),5,9-trien-7-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 | 95.44% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 93.72% | 98.95% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 92.08% | 97.09% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 91.85% | 97.25% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 91.75% | 95.56% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 90.47% | 92.94% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 90.26% | 94.45% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 88.87% | 99.23% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 86.61% | 82.69% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 86.60% | 100.00% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 82.04% | 90.71% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 81.51% | 93.40% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 80.38% | 96.09% |
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.
| Rydingia limbata |
| PubChem | 73073852 |
| LOTUS | LTS0237098 |
| wikiData | Q105370606 |