3,5-Dioxa-11-azapentacyclo[10.7.1.02,6.08,20.014,19]icosa-1(20),2(6),7,14,16,18-hexaene-11-carbaldehyde
| Internal ID | 4000bbe0-c3ea-46b0-b513-e5971ed7872b |
| Taxonomy | Alkaloids and derivatives > Aporphines |
| IUPAC Name | 3,5-dioxa-11-azapentacyclo[10.7.1.02,6.08,20.014,19]icosa-1(20),2(6),7,14,16,18-hexaene-11-carbaldehyde |
| SMILES (Canonical) | C1CN(C2CC3=CC=CC=C3C4=C2C1=CC5=C4OCO5)C=O |
| SMILES (Isomeric) | C1CN(C2CC3=CC=CC=C3C4=C2C1=CC5=C4OCO5)C=O |
| InChI | InChI=1S/C18H15NO3/c20-9-19-6-5-12-8-15-18(22-10-21-15)17-13-4-2-1-3-11(13)7-14(19)16(12)17/h1-4,8-9,14H,5-7,10H2 |
| InChI Key | UNKDZOMBELOPQZ-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C18H15NO3 |
| Molecular Weight | 293.30 g/mol |
| Exact Mass | 293.10519334 g/mol |
| Topological Polar Surface Area (TPSA) | 38.80 Ų |
| XlogP | 2.80 |
| There are no found synonyms. |
![2D Structure of 3,5-Dioxa-11-azapentacyclo[10.7.1.02,6.08,20.014,19]icosa-1(20),2(6),7,14,16,18-hexaene-11-carbaldehyde](https://plantaedb.com/storage/docs/compounds/2023/11/61c9c250-863b-11ee-bf27-c9c5510b5b18.jpg "2D Structure of 3,5-Dioxa-11-azapentacyclo[10.7.1.02,6.08,20.014,19]icosa-1(20),2(6),7,14,16,18-hexaene-11-carbaldehyde")
| 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 | 96.13% | 98.95% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 95.95% | 91.11% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 95.43% | 95.56% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 94.72% | 93.40% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 91.74% | 96.09% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 91.52% | 96.77% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 89.01% | 91.49% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 88.62% | 86.33% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 88.48% | 89.00% |
| CHEMBL1841 | P06241 | Tyrosine-protein kinase FYN | 87.71% | 81.29% |
| CHEMBL217 | P14416 | Dopamine D2 receptor | 87.66% | 95.62% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 86.76% | 100.00% |
| CHEMBL5311 | P37023 | Serine/threonine-protein kinase receptor R3 | 83.93% | 82.67% |
| CHEMBL6007 | O75762 | Transient receptor potential cation channel subfamily A member 1 | 82.74% | 92.17% |
| CHEMBL5805 | Q9NR97 | Toll-like receptor 8 | 82.60% | 96.25% |
| CHEMBL2056 | P21728 | Dopamine D1 receptor | 81.03% | 91.00% |
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.
| Annona glabra |
| Chelonanthus albus |
| Hexalobus crispiflorus |
| Magnolia compressa |
| Phoebe formosana |
| Tinospora crispa |
| PubChem | 23251787 |
| LOTUS | LTS0091403 |
| wikiData | Q105276012 |