8a-Methyl-3,5-dimethylidene-3a,4,4a,6,7,8,9,9a-octahydrobenzo[f][1]benzofuran-2-one
| Internal ID | efc97a51-dc41-43c6-a806-f5f223341d17 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Terpene lactones > Sesquiterpene lactones > Eudesmanolides, secoeudesmanolides, and derivatives |
| IUPAC Name | 8a-methyl-3,5-dimethylidene-3a,4,4a,6,7,8,9,9a-octahydrobenzo[f][1]benzofuran-2-one |
| SMILES (Canonical) | CC12CCCC(=C)C1CC3C(C2)OC(=O)C3=C |
| SMILES (Isomeric) | CC12CCCC(=C)C1CC3C(C2)OC(=O)C3=C |
| InChI | InChI=1S/C15H20O2/c1-9-5-4-6-15(3)8-13-11(7-12(9)15)10(2)14(16)17-13/h11-13H,1-2,4-8H2,3H3 |
| InChI Key | CVUANYCQTOGILD-UHFFFAOYSA-N |
| Popularity | 4 references in papers |
| Molecular Formula | C15H20O2 |
| Molecular Weight | 232.32 g/mol |
| Exact Mass | 232.146329876 g/mol |
| Topological Polar Surface Area (TPSA) | 26.30 Ų |
| XlogP | 3.40 |
| SCHEMBL15944432 |
| DTXSID50874697 |
| CVUANYCQTOGILD-UHFFFAOYSA-N |
| AKOS037623708 |
| NAPHTHO[2,3-B]FURAN-2(3H)-ONE, DECAHYDRO-8A-METH |
| 8a-Methyl-3,5-dimethylenedecahydronaphtho[2,3-b]furan-2(3H)-one # |
| Eudesma-4(14),11(13)-dien-12-oic acid, 8-.beta.-hydroxy-, .gamma.-lactone |
| Naphtho(2,3-b)furan-2(3H)-one, decahydro-8a-methyl-3,5-bis(methylene)-, (3aR-(3a.alpha.,4a.alpha.,8a.beta.,9a.alpha.))- |
![2D Structure of 8a-Methyl-3,5-dimethylidene-3a,4,4a,6,7,8,9,9a-octahydrobenzo[f][1]benzofuran-2-one](https://plantaedb.com/storage/docs/compounds/2023/11/8a-methyl-35-dimethylidene-3a44a67899a-octahydrobenzof1benzofuran-2-one.jpg "2D Structure of 8a-Methyl-3,5-dimethylidene-3a,4,4a,6,7,8,9,9a-octahydrobenzo[f][1]benzofuran-2-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 |
|---|---|---|---|---|
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 96.17% | 94.45% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 95.76% | 97.25% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 92.25% | 97.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 91.70% | 91.11% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 91.35% | 95.56% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 89.76% | 99.23% |
| CHEMBL2996 | Q05655 | Protein kinase C delta | 87.38% | 97.79% |
| CHEMBL2094127 | P06493 | Cyclin-dependent kinase 1/cyclin B | 86.98% | 96.00% |
| CHEMBL299 | P17252 | Protein kinase C alpha | 86.07% | 98.03% |
| CHEMBL259 | P32245 | Melanocortin receptor 4 | 85.50% | 95.38% |
| CHEMBL3920 | Q04759 | Protein kinase C theta | 84.31% | 97.69% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 82.74% | 90.17% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 82.59% | 85.14% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 82.48% | 86.33% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 82.19% | 100.00% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 81.76% | 95.50% |
| CHEMBL1907602 | P06493 | Cyclin-dependent kinase 1/cyclin B1 | 80.22% | 91.24% |
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.
| PubChem | 605266 |
| LOTUS | LTS0057674 |
| wikiData | Q104971015 |