5a,9-Dimethyl-3-methylidene-3a,4,5,9b-tetrahydrobenzo[g][1]benzofuran-2,8-dione
| Internal ID | afe7c1c2-b342-4b8e-aa3e-2630ee04dee5 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Terpene lactones > Sesquiterpene lactones > Eudesmanolides, secoeudesmanolides, and derivatives |
| IUPAC Name | 5a,9-dimethyl-3-methylidene-3a,4,5,9b-tetrahydrobenzo[g][1]benzofuran-2,8-dione |
| SMILES (Canonical) | CC1=C2C3C(CCC2(C=CC1=O)C)C(=C)C(=O)O3 |
| SMILES (Isomeric) | CC1=C2C3C(CCC2(C=CC1=O)C)C(=C)C(=O)O3 |
| InChI | InChI=1S/C15H16O3/c1-8-10-4-6-15(3)7-5-11(16)9(2)12(15)13(10)18-14(8)17/h5,7,10,13H,1,4,6H2,2-3H3 |
| InChI Key | SOEFILJAGJAINE-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C15H16O3 |
| Molecular Weight | 244.28 g/mol |
| Exact Mass | 244.109944368 g/mol |
| Topological Polar Surface Area (TPSA) | 43.40 Ų |
| XlogP | 2.20 |
| AKOS040737658 |
![2D Structure of 5a,9-Dimethyl-3-methylidene-3a,4,5,9b-tetrahydrobenzo[g][1]benzofuran-2,8-dione](https://plantaedb.com/storage/docs/compounds/2023/11/5a9-dimethyl-3-methylidene-3a459b-tetrahydrobenzog1benzofuran-28-dione.jpg "2D Structure of 5a,9-Dimethyl-3-methylidene-3a,4,5,9b-tetrahydrobenzo[g][1]benzofuran-2,8-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 |
|---|---|---|---|---|
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 92.31% | 95.56% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 88.76% | 97.09% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 87.65% | 94.45% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 87.54% | 99.23% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 86.96% | 91.11% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 84.29% | 100.00% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 82.65% | 89.00% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 81.57% | 85.14% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 81.41% | 94.75% |
| CHEMBL2996 | Q05655 | Protein kinase C delta | 80.87% | 97.79% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 80.65% | 97.14% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 80.21% | 93.40% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 80.18% | 97.25% |
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.
| Clusia grandiflora |
| Laurus nobilis |
| PubChem | 3874468 |
| LOTUS | LTS0069327 |
| wikiData | Q105187392 |