18,19-Dimethoxy-5,7-dioxa-13-azapentacyclo[10.7.1.02,10.04,8.016,20]icosa-1,3,8,10,12(20),16,18-heptaene-13-carbaldehyde
| Internal ID | e6c60783-80d8-4979-9658-99c6d20a0e02 |
| Taxonomy | Alkaloids and derivatives > Aporphines |
| IUPAC Name | 18,19-dimethoxy-5,7-dioxa-13-azapentacyclo[10.7.1.02,10.04,8.016,20]icosa-1,3,8,10,12(20),16,18-heptaene-13-carbaldehyde |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C20H17NO5/c1-23-17-6-11-3-4-21(9-22)14-5-12-7-15-16(26-10-25-15)8-13(12)19(18(11)14)20(17)24-2/h5-9H,3-4,10H2,1-2H3 |
| InChI Key | WDTKXSGDOGKYMY-UHFFFAOYSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C20H17NO5 |
| Molecular Weight | 351.40 g/mol |
| Exact Mass | 351.11067264 g/mol |
| Topological Polar Surface Area (TPSA) | 57.20 Ų |
| XlogP | 3.60 |
| There are no found synonyms. |
![2D Structure of 18,19-Dimethoxy-5,7-dioxa-13-azapentacyclo[10.7.1.02,10.04,8.016,20]icosa-1,3,8,10,12(20),16,18-heptaene-13-carbaldehyde](https://plantaedb.com/storage/docs/compounds/2023/11/f4a71920-8679-11ee-acdb-f9483a1a82aa.jpg "2D Structure of 18,19-Dimethoxy-5,7-dioxa-13-azapentacyclo[10.7.1.02,10.04,8.016,20]icosa-1,3,8,10,12(20),16,18-heptaene-13-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 |
|---|---|---|---|---|
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 96.94% | 96.77% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 96.80% | 91.11% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 94.79% | 86.33% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 92.94% | 94.45% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 92.61% | 95.56% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 91.79% | 96.09% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 91.74% | 94.00% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 89.98% | 92.62% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 88.75% | 92.94% |
| CHEMBL230 | P35354 | Cyclooxygenase-2 | 85.68% | 89.63% |
| CHEMBL2535 | P11166 | Glucose transporter | 85.59% | 98.75% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 85.36% | 90.00% |
| CHEMBL5747 | Q92793 | CREB-binding protein | 84.47% | 95.12% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 84.45% | 85.14% |
| CHEMBL5311 | P37023 | Serine/threonine-protein kinase receptor R3 | 83.56% | 82.67% |
| CHEMBL2085 | P14174 | Macrophage migration inhibitory factor | 83.36% | 80.78% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 82.84% | 99.17% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 82.05% | 95.89% |
| CHEMBL2056 | P21728 | Dopamine D1 receptor | 81.48% | 91.00% |
| CHEMBL1744525 | P43490 | Nicotinamide phosphoribosyltransferase | 81.27% | 96.25% |
| CHEMBL2069156 | Q14145 | Kelch-like ECH-associated protein 1 | 81.08% | 82.38% |
| CHEMBL5925 | P22413 | Ectonucleotide pyrophosphatase/phosphodiesterase family member 1 | 81.04% | 92.38% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 80.20% | 95.89% |
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.
| Aristolochia coryi |
| PubChem | 71592240 |
| LOTUS | LTS0076645 |
| wikiData | Q105302684 |