[5,7-Dihydroxy-7-(3-hydroxybutanoyl)-6-methyl-3-methylidene-2-oxo-3a,4,5,6,8,8a-hexahydrocyclohepta[b]furan-8-yl] 2-methylbutanoate
| Internal ID | e13259c4-360a-4e2c-a5b1-a46e5b12e116 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Terpene lactones |
| IUPAC Name | [5,7-dihydroxy-7-(3-hydroxybutanoyl)-6-methyl-3-methylidene-2-oxo-3a,4,5,6,8,8a-hexahydrocyclohepta[b]furan-8-yl] 2-methylbutanoate |
| SMILES (Canonical) | CCC(C)C(=O)OC1C2C(CC(C(C1(C(=O)CC(C)O)O)C)O)C(=C)C(=O)O2 |
| SMILES (Isomeric) | CCC(C)C(=O)OC1C2C(CC(C(C1(C(=O)CC(C)O)O)C)O)C(=C)C(=O)O2 |
| InChI | InChI=1S/C20H30O8/c1-6-9(2)18(24)28-17-16-13(11(4)19(25)27-16)8-14(22)12(5)20(17,26)15(23)7-10(3)21/h9-10,12-14,16-17,21-22,26H,4,6-8H2,1-3,5H3 |
| InChI Key | CFNPAWULBAZKEI-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C20H30O8 |
| Molecular Weight | 398.40 g/mol |
| Exact Mass | 398.19406791 g/mol |
| Topological Polar Surface Area (TPSA) | 130.00 Ų |
| XlogP | 0.90 |
| There are no found synonyms. |
![2D Structure of [5,7-Dihydroxy-7-(3-hydroxybutanoyl)-6-methyl-3-methylidene-2-oxo-3a,4,5,6,8,8a-hexahydrocyclohepta[b]furan-8-yl] 2-methylbutanoate](https://plantaedb.com/storage/docs/compounds/2023/11/17875680-8723-11ee-b0e0-3f7cafcf9142.jpg "2D Structure of [5,7-Dihydroxy-7-(3-hydroxybutanoyl)-6-methyl-3-methylidene-2-oxo-3a,4,5,6,8,8a-hexahydrocyclohepta[b]furan-8-yl] 2-methylbutanoate")
| 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 |
|---|---|---|---|---|
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 99.28% | 97.25% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 98.17% | 85.14% |
| CHEMBL2581 | P07339 | Cathepsin D | 96.47% | 98.95% |
| CHEMBL299 | P17252 | Protein kinase C alpha | 95.07% | 98.03% |
| CHEMBL2996 | Q05655 | Protein kinase C delta | 94.68% | 97.79% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 94.57% | 96.09% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 93.34% | 97.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 89.03% | 91.11% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 87.69% | 95.50% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 87.40% | 96.47% |
| CHEMBL1293316 | Q9HBX9 | Relaxin receptor 1 | 86.85% | 82.50% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 84.87% | 90.17% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 84.83% | 95.56% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 84.20% | 94.45% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 83.96% | 86.33% |
| CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 83.73% | 97.21% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 83.50% | 99.23% |
| CHEMBL2413 | P32246 | C-C chemokine receptor type 1 | 82.91% | 89.50% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 80.42% | 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 | 75048903 |
| LOTUS | LTS0055907 |
| wikiData | Q104956822 |