16-Acetyl-7-hydroxy-9-(2-methylbut-3-en-2-yl)-4-(2-methylpropyl)-5-oxa-2,16-diazatetracyclo[7.7.0.02,7.010,15]hexadeca-10,12,14-triene-3,6-dione
| Internal ID | 9abe4597-e1f8-4c14-bf6c-f383d29425f9 |
| Taxonomy | Organoheterocyclic compounds > Indoles and derivatives > Pyrroloindoles |
| IUPAC Name | 16-acetyl-7-hydroxy-9-(2-methylbut-3-en-2-yl)-4-(2-methylpropyl)-5-oxa-2,16-diazatetracyclo[7.7.0.02,7.010,15]hexadeca-10,12,14-triene-3,6-dione |
| SMILES (Canonical) | CC(C)CC1C(=O)N2C3C(CC2(C(=O)O1)O)(C4=CC=CC=C4N3C(=O)C)C(C)(C)C=C |
| SMILES (Isomeric) | CC(C)CC1C(=O)N2C3C(CC2(C(=O)O1)O)(C4=CC=CC=C4N3C(=O)C)C(C)(C)C=C |
| InChI | InChI=1S/C24H30N2O5/c1-7-22(5,6)23-13-24(30)21(29)31-18(12-14(2)3)19(28)26(24)20(23)25(15(4)27)17-11-9-8-10-16(17)23/h7-11,14,18,20,30H,1,12-13H2,2-6H3 |
| InChI Key | KQOPIDROORHFNV-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C24H30N2O5 |
| Molecular Weight | 426.50 g/mol |
| Exact Mass | 426.21547206 g/mol |
| Topological Polar Surface Area (TPSA) | 87.20 Ų |
| XlogP | 3.60 |
| There are no found synonyms. |
![2D Structure of 16-Acetyl-7-hydroxy-9-(2-methylbut-3-en-2-yl)-4-(2-methylpropyl)-5-oxa-2,16-diazatetracyclo[7.7.0.02,7.010,15]hexadeca-10,12,14-triene-3,6-dione](https://plantaedb.com/storage/docs/compounds/2023/11/9365c350-853e-11ee-b85a-7bac74399529.jpg "2D Structure of 16-Acetyl-7-hydroxy-9-(2-methylbut-3-en-2-yl)-4-(2-methylpropyl)-5-oxa-2,16-diazatetracyclo[7.7.0.02,7.010,15]hexadeca-10,12,14-triene-3,6-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 |
|---|---|---|---|---|
| CHEMBL2581 | P07339 | Cathepsin D | 96.68% | 98.95% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 96.66% | 91.11% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 96.32% | 97.25% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 93.66% | 95.56% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 91.89% | 96.09% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 91.58% | 94.45% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 91.01% | 97.14% |
| CHEMBL5966 | P55899 | IgG receptor FcRn large subunit p51 | 88.06% | 90.93% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 87.82% | 89.00% |
| CHEMBL2553 | Q15418 | Ribosomal protein S6 kinase alpha 1 | 87.11% | 85.11% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 87.01% | 86.33% |
| CHEMBL5409 | Q8TDU6 | G-protein coupled bile acid receptor 1 | 83.19% | 93.65% |
| CHEMBL5028 | O14672 | ADAM10 | 82.51% | 97.50% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 81.30% | 96.47% |
| CHEMBL2335 | P42785 | Lysosomal Pro-X carboxypeptidase | 81.28% | 100.00% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 81.27% | 93.56% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 80.33% | 90.00% |
| CHEMBL4051 | P13569 | Cystic fibrosis transmembrane conductance regulator | 80.06% | 95.71% |
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 | 73210892 |
| LOTUS | LTS0131082 |
| wikiData | Q105144672 |