(7-But-2-enoyl-5,7-dihydroxy-6-methyl-3-methylidene-2-oxo-3a,4,5,6,8,8a-hexahydrocyclohepta[b]furan-8-yl) 2-methylbut-2-enoate
| Internal ID | 987200fc-b7da-43f6-98bc-1a8cb626e0d1 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Terpene lactones |
| IUPAC Name | (7-but-2-enoyl-5,7-dihydroxy-6-methyl-3-methylidene-2-oxo-3a,4,5,6,8,8a-hexahydrocyclohepta[b]furan-8-yl) 2-methylbut-2-enoate |
| SMILES (Canonical) | CC=CC(=O)C1(C(C(CC2C(C1OC(=O)C(=CC)C)OC(=O)C2=C)O)C)O |
| SMILES (Isomeric) | CC=CC(=O)C1(C(C(CC2C(C1OC(=O)C(=CC)C)OC(=O)C2=C)O)C)O |
| InChI | InChI=1S/C20H26O7/c1-6-8-15(22)20(25)12(5)14(21)9-13-11(4)19(24)26-16(13)17(20)27-18(23)10(3)7-2/h6-8,12-14,16-17,21,25H,4,9H2,1-3,5H3 |
| InChI Key | OJPJYACNHGFECP-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C20H26O7 |
| Molecular Weight | 378.40 g/mol |
| Exact Mass | 378.16785316 g/mol |
| Topological Polar Surface Area (TPSA) | 110.00 Ų |
| XlogP | 1.80 |
| There are no found synonyms. |
![2D Structure of (7-But-2-enoyl-5,7-dihydroxy-6-methyl-3-methylidene-2-oxo-3a,4,5,6,8,8a-hexahydrocyclohepta[b]furan-8-yl) 2-methylbut-2-enoate](https://plantaedb.com/storage/docs/compounds/2023/11/2287fe50-855d-11ee-952e-c9735d335a5a.jpg "2D Structure of (7-But-2-enoyl-5,7-dihydroxy-6-methyl-3-methylidene-2-oxo-3a,4,5,6,8,8a-hexahydrocyclohepta[b]furan-8-yl) 2-methylbut-2-enoate")
| 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 | 95.26% | 91.11% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 90.25% | 97.25% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 88.07% | 99.23% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 87.91% | 97.09% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 86.55% | 86.33% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 85.77% | 89.00% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 85.73% | 91.07% |
| CHEMBL1293267 | Q9HC97 | G-protein coupled receptor 35 | 85.20% | 89.34% |
| CHEMBL299 | P17252 | Protein kinase C alpha | 85.03% | 98.03% |
| CHEMBL1907602 | P06493 | Cyclin-dependent kinase 1/cyclin B1 | 84.79% | 91.24% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 84.54% | 95.56% |
| CHEMBL2964 | P36507 | Dual specificity mitogen-activated protein kinase kinase 2 | 83.66% | 80.00% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 83.16% | 95.50% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 82.13% | 90.17% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 81.66% | 91.19% |
| CHEMBL2996 | Q05655 | Protein kinase C delta | 80.96% | 97.79% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 80.04% | 97.14% |
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.
| Ratibida columnifera |
| PubChem | 73820893 |
| LOTUS | LTS0085880 |
| wikiData | Q105193202 |