18-O-Demethyldiosbulbi F
| Internal ID | 57400445-ac6d-4862-b9af-19cf8c4ca113 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Terpene lactones > Diterpene lactones |
| IUPAC Name | 2-(furan-3-yl)-9-hydroxy-10b-methyl-4,6-dioxo-1,2,4a,5,6a,7,8,9,10,10a-decahydrobenzo[f]isochromene-7-carboxylic acid |
| SMILES (Canonical) | CC12CC(OC(=O)C1CC(=O)C3C2CC(CC3C(=O)O)O)C4=COC=C4 |
| SMILES (Isomeric) | CC12CC(OC(=O)C1CC(=O)C3C2CC(CC3C(=O)O)O)C4=COC=C4 |
| InChI | InChI=1S/C19H22O7/c1-19-7-15(9-2-3-25-8-9)26-18(24)13(19)6-14(21)16-11(17(22)23)4-10(20)5-12(16)19/h2-3,8,10-13,15-16,20H,4-7H2,1H3,(H,22,23) |
| InChI Key | PESWLPIIHLYDJT-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C19H22O7 |
| Molecular Weight | 362.40 g/mol |
| Exact Mass | 362.13655304 g/mol |
| Topological Polar Surface Area (TPSA) | 114.00 Ų |
| XlogP | 0.60 |
| 1236285-87-2 |
| 18-O-Demethyldiosbulbi F |
| 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 | 95.15% | 85.14% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 95.07% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 92.78% | 96.09% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 92.17% | 94.45% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 92.00% | 83.82% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 90.83% | 97.09% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 90.55% | 90.17% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 87.73% | 95.56% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 86.59% | 89.00% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 85.01% | 86.33% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 81.90% | 95.50% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 81.75% | 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 | 75219398 |
| LOTUS | LTS0093744 |
| wikiData | Q105207331 |