4a,9a-dihydroxy-3,8a-dimethyl-5-methylidene-6,7,8,9-tetrahydro-4H-benzo[f][1]benzofuran-2-one
| Internal ID | 73514fe1-25d6-46ae-8707-565913a46b68 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Terpene lactones > Sesquiterpene lactones > Eudesmanolides, secoeudesmanolides, and derivatives |
| IUPAC Name | 4a,9a-dihydroxy-3,8a-dimethyl-5-methylidene-6,7,8,9-tetrahydro-4H-benzo[f][1]benzofuran-2-one |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C15H20O4/c1-9-5-4-6-13(3)8-15(18)11(7-14(9,13)17)10(2)12(16)19-15/h17-18H,1,4-8H2,2-3H3 |
| InChI Key | CCGJHLPCBIODCA-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C15H20O4 |
| Molecular Weight | 264.32 g/mol |
| Exact Mass | 264.13615911 g/mol |
| Topological Polar Surface Area (TPSA) | 66.80 Ų |
| XlogP | 0.80 |
| There are no found synonyms. |
![2D Structure of 4a,9a-dihydroxy-3,8a-dimethyl-5-methylidene-6,7,8,9-tetrahydro-4H-benzo[f][1]benzofuran-2-one](https://plantaedb.com/storage/docs/compounds/2023/11/4a9a-dihydroxy-38a-dimethyl-5-methylidene-6789-tetrahydro-4h-benzof1benzofuran-2-one.jpg "2D Structure of 4a,9a-dihydroxy-3,8a-dimethyl-5-methylidene-6,7,8,9-tetrahydro-4H-benzo[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 |
|---|---|---|---|---|
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 95.89% | 91.11% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 94.36% | 95.56% |
| CHEMBL2581 | P07339 | Cathepsin D | 89.66% | 98.95% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 87.30% | 97.25% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 86.37% | 99.23% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 85.54% | 89.00% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 85.50% | 91.49% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 85.14% | 94.75% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 81.72% | 93.03% |
| CHEMBL2039 | P27338 | Monoamine oxidase B | 81.58% | 92.51% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 80.55% | 97.09% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 80.38% | 95.50% |
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.
| Lophocolea heterophylla |
| PubChem | 14633199 |
| LOTUS | LTS0040156 |
| wikiData | Q104953280 |