5-Hydroxy-9a-methoxy-3,5,8a-trimethyl-4,4a,6,7,8,9-hexahydrobenzo[f][1]benzofuran-2-one
| Internal ID | 1c99c2b3-5610-4723-968d-643cea49cb64 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Terpene lactones > Sesquiterpene lactones > Eudesmanolides, secoeudesmanolides, and derivatives |
| IUPAC Name | 5-hydroxy-9a-methoxy-3,5,8a-trimethyl-4,4a,6,7,8,9-hexahydrobenzo[f][1]benzofuran-2-one |
| SMILES (Canonical) | CC1=C2CC3C(CCCC3(C)O)(CC2(OC1=O)OC)C |
| SMILES (Isomeric) | CC1=C2CC3C(CCCC3(C)O)(CC2(OC1=O)OC)C |
| InChI | InChI=1S/C16H24O4/c1-10-11-8-12-14(2,6-5-7-15(12,3)18)9-16(11,19-4)20-13(10)17/h12,18H,5-9H2,1-4H3 |
| InChI Key | DWKVFTSXSNTDJB-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C16H24O4 |
| Molecular Weight | 280.36 g/mol |
| Exact Mass | 280.16745924 g/mol |
| Topological Polar Surface Area (TPSA) | 55.80 Ų |
| XlogP | 1.80 |
| There are no found synonyms. |
![2D Structure of 5-Hydroxy-9a-methoxy-3,5,8a-trimethyl-4,4a,6,7,8,9-hexahydrobenzo[f][1]benzofuran-2-one](https://plantaedb.com/storage/docs/compounds/2023/11/5-hydroxy-9a-methoxy-358a-trimethyl-44a6789-hexahydrobenzof1benzofuran-2-one.jpg "2D Structure of 5-Hydroxy-9a-methoxy-3,5,8a-trimethyl-4,4a,6,7,8,9-hexahydrobenzo[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 |
|---|---|---|---|---|
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 93.19% | 95.56% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 93.05% | 99.23% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 92.83% | 91.11% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 89.99% | 94.75% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 86.80% | 93.03% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 86.12% | 86.33% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 84.61% | 94.00% |
| CHEMBL2581 | P07339 | Cathepsin D | 83.93% | 98.95% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 83.02% | 94.73% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 81.93% | 82.69% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 81.27% | 97.09% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 80.85% | 92.94% |
| CHEMBL2069156 | Q14145 | Kelch-like ECH-associated protein 1 | 80.00% | 82.38% |
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.
| Chloranthus spicatus |
| PubChem | 163050502 |
| LOTUS | LTS0084965 |
| wikiData | Q104990589 |