5,8a,9',13'-Tetramethyl-4'-methylidenespiro[3a,4,9,9a-tetrahydrobenzo[f][1]benzofuran-3,15'-6-oxatetracyclo[9.2.2.01,9.03,7]pentadec-12-ene]-2,5',6,10'-tetrone
| Internal ID | c5d1572f-16d3-460a-98f1-5daa5cf8c9aa |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Terpene lactones > Sesquiterpene lactones > Eudesmanolides, secoeudesmanolides, and derivatives |
| IUPAC Name | 5,8a,9',13'-tetramethyl-4'-methylidenespiro[3a,4,9,9a-tetrahydrobenzo[f][1]benzofuran-3,15'-6-oxatetracyclo[9.2.2.01,9.03,7]pentadec-12-ene]-2,5',6,10'-tetrone |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C30H32O6/c1-14-8-20-24(32)28(5)12-22-17(15(2)25(33)35-22)10-29(14,28)13-30(20)19-9-18-16(3)21(31)6-7-27(18,4)11-23(19)36-26(30)34/h6-8,17,19-20,22-23H,2,9-13H2,1,3-5H3 |
| InChI Key | DXWSMYLGSLBTTI-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C30H32O6 |
| Molecular Weight | 488.60 g/mol |
| Exact Mass | 488.21988874 g/mol |
| Topological Polar Surface Area (TPSA) | 86.70 Ų |
| XlogP | 3.20 |
| There are no found synonyms. |
![2D Structure of 5,8a,9',13'-Tetramethyl-4'-methylidenespiro[3a,4,9,9a-tetrahydrobenzo[f][1]benzofuran-3,15'-6-oxatetracyclo[9.2.2.01,9.03,7]pentadec-12-ene]-2,5',6,10'-tetrone](https://plantaedb.com/storage/docs/compounds/2023/11/1b7f41f0-8735-11ee-be67-c70724751470.jpg "2D Structure of 5,8a,9',13'-Tetramethyl-4'-methylidenespiro[3a,4,9,9a-tetrahydrobenzo[f][1]benzofuran-3,15'-6-oxatetracyclo[9.2.2.01,9.03,7]pentadec-12-ene]-2,5',6,10'-tetrone")
| 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 |
|---|---|---|---|---|
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 92.76% | 85.14% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 92.74% | 95.56% |
| CHEMBL2039 | P27338 | Monoamine oxidase B | 90.44% | 92.51% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 89.84% | 97.09% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 89.03% | 97.25% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 88.72% | 91.11% |
| CHEMBL2996 | Q05655 | Protein kinase C delta | 86.90% | 97.79% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 86.71% | 93.40% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 85.98% | 97.14% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 85.78% | 99.23% |
| CHEMBL2094127 | P06493 | Cyclin-dependent kinase 1/cyclin B | 85.74% | 96.00% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 85.09% | 100.00% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 85.01% | 86.33% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 84.36% | 94.45% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 82.22% | 95.50% |
| CHEMBL1907602 | P06493 | Cyclin-dependent kinase 1/cyclin B1 | 81.96% | 91.24% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 80.01% | 93.03% |
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.
| Celastrus hindsii |
| Euonymus laxiflorus |
| Ferreyranthus fruticosus |
| PubChem | 14021299 |
| LOTUS | LTS0082152 |
| wikiData | Q105157004 |