6beta-Angeloyloxy-1beta,10beta-epoxy-9-oxofuranoeremophilane
| Internal ID | 8fce4e0f-4495-4f14-8906-c399f207f081 |
| Taxonomy | Organoheterocyclic compounds > Naphthofurans |
| IUPAC Name | [(1S,8S,9S,10S,13R)-6,9,10-trimethyl-2-oxo-4,14-dioxatetracyclo[7.5.0.01,13.03,7]tetradeca-3(7),5-dien-8-yl] (Z)-2-methylbut-2-enoate |
| SMILES (Canonical) | CC=C(C)C(=O)OC1C2=C(C(=O)C34C1(C(CCC3O4)C)C)OC=C2C |
| SMILES (Isomeric) | C/C=C(/C)\C(=O)O[C@@H]1C2=C(C(=O)[C@]34[C@]1([C@H](CC[C@H]3O4)C)C)OC=C2C |
| InChI | InChI=1S/C20H24O5/c1-6-10(2)18(22)24-17-14-11(3)9-23-15(14)16(21)20-13(25-20)8-7-12(4)19(17,20)5/h6,9,12-13,17H,7-8H2,1-5H3/b10-6-/t12-,13+,17+,19-,20-/m0/s1 |
| InChI Key | DYUUYSPIUJKIFD-UQORVLBASA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C20H24O5 |
| Molecular Weight | 344.40 g/mol |
| Exact Mass | 344.16237386 g/mol |
| Topological Polar Surface Area (TPSA) | 69.00 Ų |
| XlogP | 3.70 |
| 59780-08-4 |
| AKOS040761227 |
| 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 | 98.08% | 91.11% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 93.71% | 89.00% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 91.53% | 95.56% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 90.19% | 97.09% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 85.68% | 94.75% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 85.27% | 99.23% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 84.47% | 86.33% |
| CHEMBL1871 | P10275 | Androgen Receptor | 83.94% | 96.43% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 82.52% | 91.19% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 82.22% | 96.09% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 81.07% | 94.00% |
| CHEMBL2581 | P07339 | Cathepsin D | 80.36% | 98.95% |
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.
| Ligularia cyathiceps |
| Pittocaulon praecox |
| Senecio conrathii |
| PubChem | 14237565 |
| LOTUS | LTS0115328 |
| wikiData | Q104991608 |