Asterridinone (ARD)
| Internal ID | 072b53bc-5805-4436-aa36-c6682844d18d |
| Taxonomy | Organoheterocyclic compounds > Indoles and derivatives > N-alkylindoles |
| IUPAC Name | 3,6-bis[1-(2-methylbut-3-en-2-yl)indol-3-yl]furo[3,2-b]furan-2,5-dione |
| SMILES (Canonical) | CC(C)(C=C)N1C=C(C2=CC=CC=C21)C3=C4C(=C(C(=O)O4)C5=CN(C6=CC=CC=C65)C(C)(C)C=C)OC3=O |
| SMILES (Isomeric) | CC(C)(C=C)N1C=C(C2=CC=CC=C21)C3=C4C(=C(C(=O)O4)C5=CN(C6=CC=CC=C65)C(C)(C)C=C)OC3=O |
| InChI | InChI=1S/C32H28N2O4/c1-7-31(3,4)33-17-21(19-13-9-11-15-23(19)33)25-27-28(38-29(25)35)26(30(36)37-27)22-18-34(32(5,6)8-2)24-16-12-10-14-20(22)24/h7-18H,1-2H2,3-6H3 |
| InChI Key | IRJGMAFRZLADJC-UHFFFAOYSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C32H28N2O4 |
| Molecular Weight | 504.60 g/mol |
| Exact Mass | 504.20490738 g/mol |
| Topological Polar Surface Area (TPSA) | 62.50 Ų |
| XlogP | 5.80 |
| NSC676675 |
| Asterridinone |
| CHEMBL1971765 |
| NSC-676675 |
| 3,6-Bis(1-(1,1-dimethyl-2-propenyl)-1H-indol-3-yl)furo[3,2-b]furan-2,5-dione |
| NCI60_027162 |
| 3,6-bis[1-(1,1-dimethylallyl)indol-3-yl]furo[3,2-b]furan-2,5-dione |
| 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 |
|---|---|---|---|---|
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 98.43% | 95.56% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 97.15% | 91.49% |
| CHEMBL5409 | Q8TDU6 | G-protein coupled bile acid receptor 1 | 96.12% | 93.65% |
| CHEMBL2581 | P07339 | Cathepsin D | 94.95% | 98.95% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 91.84% | 99.23% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 91.56% | 86.33% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 90.98% | 94.73% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 90.89% | 89.00% |
| CHEMBL230 | P35354 | Cyclooxygenase-2 | 87.31% | 89.63% |
| CHEMBL5966 | P55899 | IgG receptor FcRn large subunit p51 | 83.44% | 90.93% |
| CHEMBL5805 | Q9NR97 | Toll-like receptor 8 | 81.77% | 96.25% |
| CHEMBL2035 | P08912 | Muscarinic acetylcholine receptor M5 | 81.37% | 94.62% |
| CHEMBL1868 | P17948 | Vascular endothelial growth factor receptor 1 | 80.99% | 96.47% |
| CHEMBL2085 | P14174 | Macrophage migration inhibitory factor | 80.31% | 80.78% |
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.
| There are no matching plants. |
| PubChem | 385440 |
| LOTUS | LTS0036124 |
| wikiData | Q77514113 |