hyperione A, (rel)-
| Internal ID | d7060f33-cbb9-4283-bb62-569cd8aa4d5d |
| Taxonomy | Organoheterocyclic compounds > Benzodioxoles |
| IUPAC Name | 1,3-benzodioxol-5-yl-[(3R,5R)-5-(1,3-benzodioxol-5-yl)oxolan-3-yl]methanone |
| SMILES (Canonical) | C1C(COC1C2=CC3=C(C=C2)OCO3)C(=O)C4=CC5=C(C=C4)OCO5 |
| SMILES (Isomeric) | C1[C@H](CO[C@H]1C2=CC3=C(C=C2)OCO3)C(=O)C4=CC5=C(C=C4)OCO5 |
| InChI | InChI=1S/C19H16O6/c20-19(12-2-4-15-18(6-12)25-10-23-15)13-7-16(21-8-13)11-1-3-14-17(5-11)24-9-22-14/h1-6,13,16H,7-10H2/t13-,16-/m1/s1 |
| InChI Key | USTIGIXBHGGRBQ-CZUORRHYSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C19H16O6 |
| Molecular Weight | 340.30 g/mol |
| Exact Mass | 340.09468823 g/mol |
| Topological Polar Surface Area (TPSA) | 63.20 Ų |
| XlogP | 2.70 |
| CHEBI:70392 |
| Q27138731 |
| 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 | 95.57% | 91.11% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 93.76% | 97.09% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 92.71% | 96.77% |
| CHEMBL2039 | P27338 | Monoamine oxidase B | 90.11% | 92.51% |
| CHEMBL4481 | P35228 | Nitric oxide synthase, inducible | 88.11% | 94.80% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 87.86% | 89.00% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 87.67% | 90.00% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 84.80% | 100.00% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 84.54% | 90.71% |
| CHEMBL2781 | P19634 | Sodium/hydrogen exchanger 1 | 83.97% | 90.24% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 83.89% | 86.33% |
| CHEMBL4225 | P49760 | Dual specificity protein kinase CLK2 | 82.73% | 80.96% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 82.33% | 91.19% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 81.36% | 95.56% |
| CHEMBL4530 | P00488 | Coagulation factor XIII | 80.81% | 96.00% |
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.
| Cratoxylum cochinchinense |
| PubChem | 50899859 |
| LOTUS | LTS0200866 |
| wikiData | Q27138731 |