2-(furan-3-yl)-6a,9-dihydroxy-10b-methyl-4,6-dioxo-2,4a,5,7,8,9,10,10a-octahydro-1H-benzo[f]isochromene-7-carboxylic acid
| Internal ID | 2da65692-6642-4f29-9d9c-173a9fde1b28 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Terpene lactones > Diterpene lactones |
| IUPAC Name | 2-(furan-3-yl)-6a,9-dihydroxy-10b-methyl-4,6-dioxo-2,4a,5,7,8,9,10,10a-octahydro-1H-benzo[f]isochromene-7-carboxylic acid |
| SMILES (Canonical) | CC12CC(OC(=O)C1CC(=O)C3(C2CC(CC3C(=O)O)O)O)C4=COC=C4 |
| SMILES (Isomeric) | CC12CC(OC(=O)C1CC(=O)C3(C2CC(CC3C(=O)O)O)O)C4=COC=C4 |
| InChI | InChI=1S/C19H22O8/c1-18-7-13(9-2-3-26-8-9)27-17(24)12(18)6-15(21)19(25)11(16(22)23)4-10(20)5-14(18)19/h2-3,8,10-14,20,25H,4-7H2,1H3,(H,22,23) |
| InChI Key | VFBSFVHKKKXNHM-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C19H22O8 |
| Molecular Weight | 378.40 g/mol |
| Exact Mass | 378.13146766 g/mol |
| Topological Polar Surface Area (TPSA) | 134.00 Ų |
| XlogP | 0.40 |
| There are no found synonyms. |
![2D Structure of 2-(furan-3-yl)-6a,9-dihydroxy-10b-methyl-4,6-dioxo-2,4a,5,7,8,9,10,10a-octahydro-1H-benzo[f]isochromene-7-carboxylic acid](https://plantaedb.com/storage/docs/compounds/2023/11/f918fa90-85fd-11ee-a2e8-3d67113567b3.jpg "2D Structure of 2-(furan-3-yl)-6a,9-dihydroxy-10b-methyl-4,6-dioxo-2,4a,5,7,8,9,10,10a-octahydro-1H-benzo[f]isochromene-7-carboxylic acid")
| 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 | 95.79% | 85.14% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 92.57% | 91.11% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 90.70% | 97.09% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 89.82% | 94.45% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 89.79% | 99.23% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 85.98% | 95.56% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 85.22% | 83.82% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 84.44% | 86.33% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 81.03% | 91.19% |
| CHEMBL2553 | Q15418 | Ribosomal protein S6 kinase alpha 1 | 80.87% | 85.11% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 80.69% | 89.00% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 80.47% | 100.00% |
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.
| Dioscorea bulbifera |
| PubChem | 74929150 |
| LOTUS | LTS0020523 |
| wikiData | Q105285071 |