21-Hydroxy-8,10-dioxa-5,17-diazaoctacyclo[15.5.3.01,16.04,15.04,21.06,14.07,11.015,19]pentacosa-6(14),7(11),12-triene-18,20-dione
| Internal ID | 2bbc7bcd-7854-43f9-a92f-cb389691cb52 |
| Taxonomy | Alkaloids and derivatives > Aspidofractine alkaloids |
| IUPAC Name | 21-hydroxy-8,10-dioxa-5,17-diazaoctacyclo[15.5.3.01,16.04,15.04,21.06,14.07,11.015,19]pentacosa-6(14),7(11),12-triene-18,20-dione |
| SMILES (Canonical) | C1CC23CCC45C(C2)(C(=O)C6C4(C3N(C1)C6=O)C7=C(N5)C8=C(C=C7)OCO8)O |
| SMILES (Isomeric) | C1CC23CCC45C(C2)(C(=O)C6C4(C3N(C1)C6=O)C7=C(N5)C8=C(C=C7)OCO8)O |
| InChI | InChI=1S/C21H20N2O5/c24-15-12-16(25)23-7-1-4-18-5-6-20(19(15,26)8-18)21(12,17(18)23)10-2-3-11-14(13(10)22-20)28-9-27-11/h2-3,12,17,22,26H,1,4-9H2 |
| InChI Key | BOKUSIZTGUYFFP-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C21H20N2O5 |
| Molecular Weight | 380.40 g/mol |
| Exact Mass | 380.13722174 g/mol |
| Topological Polar Surface Area (TPSA) | 88.10 Ų |
| XlogP | 1.00 |
| There are no found synonyms. |
![2D Structure of 21-Hydroxy-8,10-dioxa-5,17-diazaoctacyclo[15.5.3.01,16.04,15.04,21.06,14.07,11.015,19]pentacosa-6(14),7(11),12-triene-18,20-dione](https://plantaedb.com/storage/docs/compounds/2023/11/6499a200-8584-11ee-9c0a-87af670d9f84.jpg "2D Structure of 21-Hydroxy-8,10-dioxa-5,17-diazaoctacyclo[15.5.3.01,16.04,15.04,21.06,14.07,11.015,19]pentacosa-6(14),7(11),12-triene-18,20-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 |
|---|---|---|---|---|
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 99.43% | 94.45% |
| CHEMBL2581 | P07339 | Cathepsin D | 96.05% | 98.95% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 95.92% | 91.11% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 95.12% | 96.77% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 92.40% | 93.40% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 90.84% | 95.56% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 89.10% | 97.09% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 88.82% | 89.00% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 88.68% | 97.25% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 88.32% | 100.00% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 88.19% | 90.00% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 87.15% | 96.09% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 84.28% | 99.23% |
| CHEMBL4224 | P49759 | Dual specificty protein kinase CLK1 | 83.09% | 85.30% |
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.
| Kopsia dasyrachis |
| PubChem | 162949085 |
| LOTUS | LTS0112506 |
| wikiData | Q104939292 |