Dysodanthin A
| Internal ID | f894a612-ea59-488a-a51f-cc2a301356e4 |
| Taxonomy | Organoheterocyclic compounds > Benzodioxoles |
| IUPAC Name | (2R,3S,3aS,5R)-5-methoxy-2-(7-methoxy-1,3-benzodioxol-5-yl)-3-methyl-3a-prop-2-enyl-2,3,4,5-tetrahydro-1-benzofuran-6-one |
| SMILES (Canonical) | CC1C(OC2=CC(=O)C(CC12CC=C)OC)C3=CC4=C(C(=C3)OC)OCO4 |
| SMILES (Isomeric) | C[C@@H]1[C@@H](OC2=CC(=O)[C@@H](C[C@@]12CC=C)OC)C3=CC4=C(C(=C3)OC)OCO4 |
| InChI | InChI=1S/C21H24O6/c1-5-6-21-10-17(24-4)14(22)9-18(21)27-19(12(21)2)13-7-15(23-3)20-16(8-13)25-11-26-20/h5,7-9,12,17,19H,1,6,10-11H2,2-4H3/t12-,17-,19-,21+/m1/s1 |
| InChI Key | OMGCRXDVHRMBJV-CKIIPLENSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C21H24O6 |
| Molecular Weight | 372.40 g/mol |
| Exact Mass | 372.15728848 g/mol |
| Topological Polar Surface Area (TPSA) | 63.20 Ų |
| XlogP | 3.40 |
| CHEMBL499976 |
| 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 | 98.99% | 91.11% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 97.67% | 85.14% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 95.58% | 96.09% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 94.63% | 95.56% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 90.95% | 86.33% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 89.99% | 92.62% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 88.78% | 96.77% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 88.67% | 97.09% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 88.40% | 97.25% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 88.20% | 89.00% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 87.67% | 97.14% |
| CHEMBL2581 | P07339 | Cathepsin D | 87.12% | 98.95% |
| CHEMBL4481 | P35228 | Nitric oxide synthase, inducible | 84.87% | 94.80% |
| CHEMBL2069156 | Q14145 | Kelch-like ECH-associated protein 1 | 83.80% | 82.38% |
| CHEMBL5925 | P22413 | Ectonucleotide pyrophosphatase/phosphodiesterase family member 1 | 83.24% | 92.38% |
| CHEMBL4803 | P29474 | Nitric-oxide synthase, endothelial | 82.77% | 86.00% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 82.62% | 96.00% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 81.47% | 94.00% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 81.43% | 100.00% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 81.13% | 92.94% |
| CHEMBL2413 | P32246 | C-C chemokine receptor type 1 | 81.08% | 89.50% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 81.04% | 94.45% |
| CHEMBL4530 | P00488 | Coagulation factor XIII | 80.92% | 96.00% |
| CHEMBL1902 | P62942 | FK506-binding protein 1A | 80.53% | 97.05% |
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.
| Endlicheria dysodantha |
| PubChem | 44576117 |
| LOTUS | LTS0268740 |
| wikiData | Q105194322 |