13-Methyl-4,9-dimethylidene-6,14-dioxatetracyclo[8.4.0.01,13.03,7]tetradecan-5-one
| Internal ID | 9611e7a3-b78d-41bc-a044-0688cc870179 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Terpene lactones > Sesquiterpene lactones > Guaianolides and derivatives |
| IUPAC Name | 13-methyl-4,9-dimethylidene-6,14-dioxatetracyclo[8.4.0.01,13.03,7]tetradecan-5-one |
| SMILES (Canonical) | CC12CCC3C1(O2)CC4C(CC3=C)OC(=O)C4=C |
| SMILES (Isomeric) | CC12CCC3C1(O2)CC4C(CC3=C)OC(=O)C4=C |
| InChI | InChI=1S/C15H18O3/c1-8-6-12-10(9(2)13(16)17-12)7-15-11(8)4-5-14(15,3)18-15/h10-12H,1-2,4-7H2,3H3 |
| InChI Key | PMSRALCKSSJQPQ-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C15H18O3 |
| Molecular Weight | 246.30 g/mol |
| Exact Mass | 246.125594432 g/mol |
| Topological Polar Surface Area (TPSA) | 38.80 Ų |
| XlogP | 1.80 |
| There are no found synonyms. |
![2D Structure of 13-Methyl-4,9-dimethylidene-6,14-dioxatetracyclo[8.4.0.01,13.03,7]tetradecan-5-one](https://plantaedb.com/storage/docs/compounds/2023/11/13-methyl-49-dimethylidene-614-dioxatetracyclo8400113037tetradecan-5-one.jpg "2D Structure of 13-Methyl-4,9-dimethylidene-6,14-dioxatetracyclo[8.4.0.01,13.03,7]tetradecan-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 |
|---|---|---|---|---|
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 94.56% | 97.25% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 93.46% | 97.09% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 93.08% | 85.14% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 91.54% | 91.11% |
| CHEMBL3920 | Q04759 | Protein kinase C theta | 88.55% | 97.69% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 87.75% | 99.23% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 86.29% | 95.56% |
| CHEMBL1902 | P62942 | FK506-binding protein 1A | 84.20% | 97.05% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 83.75% | 90.17% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 83.75% | 100.00% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 83.38% | 97.14% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 83.02% | 95.89% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 80.94% | 82.69% |
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.
| Inula anatolica |
| PubChem | 14707712 |
| LOTUS | LTS0078231 |
| wikiData | Q105211715 |