Danshinspiroketallactone
| Internal ID | c082e1d5-7503-42a2-860f-3d85f7cf1f1e |
| Taxonomy | Organoheterocyclic compounds > Naphthofurans |
| IUPAC Name | (3S,4'R)-4',6-dimethylspiro[benzo[g][2]benzofuran-3,2'-oxolane]-1-one |
| SMILES (Canonical) | CC1CC2(C3=C(C4=CC=CC(=C4C=C3)C)C(=O)O2)OC1 |
| SMILES (Isomeric) | C[C@@H]1C[C@]2(C3=C(C4=CC=CC(=C4C=C3)C)C(=O)O2)OC1 |
| InChI | InChI=1S/C17H16O3/c1-10-8-17(19-9-10)14-7-6-12-11(2)4-3-5-13(12)15(14)16(18)20-17/h3-7,10H,8-9H2,1-2H3/t10-,17+/m1/s1 |
| InChI Key | DNLNYCCHXAULQA-QGHHPUGFSA-N |
| Popularity | 3 references in papers |
| Molecular Formula | C17H16O3 |
| Molecular Weight | 268.31 g/mol |
| Exact Mass | 268.109944368 g/mol |
| Topological Polar Surface Area (TPSA) | 35.50 Ų |
| XlogP | 3.70 |
| 100414-80-0 |
| 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 | 98.27% | 91.11% |
| CHEMBL4481 | P35228 | Nitric oxide synthase, inducible | 96.33% | 94.80% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 95.94% | 95.56% |
| CHEMBL2581 | P07339 | Cathepsin D | 93.39% | 98.95% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 92.88% | 89.00% |
| CHEMBL240 | Q12809 | HERG | 92.41% | 89.76% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 91.06% | 99.23% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 89.10% | 91.49% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 85.52% | 94.45% |
| CHEMBL5409 | Q8TDU6 | G-protein coupled bile acid receptor 1 | 84.38% | 93.65% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 82.33% | 97.09% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 82.23% | 86.33% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 82.17% | 95.89% |
| CHEMBL260 | Q16539 | MAP kinase p38 alpha | 80.26% | 97.78% |
| CHEMBL2095226 | P05556 | Integrin alpha-5/beta-1 | 80.06% | 96.39% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 80.01% | 94.73% |
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.
| PubChem | 56956598 |
| NPASS | NPC116697 |
| LOTUS | LTS0121786 |
| wikiData | Q104985625 |