18,19-Dimethoxy-5,7-dioxa-13-azapentacyclo[10.7.1.02,10.04,8.016,20]icosa-1(19),2,4(8),9,16(20),17-hexaen-17-ol
| Internal ID | a46a9dec-ee2d-48ba-8a48-a3971800c976 |
| 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(19),2,4(8),9,16(20),17-hexaen-17-ol |
| SMILES (Canonical) | COC1=C2C3=CC4=C(C=C3CC5C2=C(CCN5)C(=C1OC)O)OCO4 |
| SMILES (Isomeric) | COC1=C2C3=CC4=C(C=C3CC5C2=C(CCN5)C(=C1OC)O)OCO4 |
| InChI | InChI=1S/C19H19NO5/c1-22-18-16-11-7-14-13(24-8-25-14)6-9(11)5-12-15(16)10(3-4-20-12)17(21)19(18)23-2/h6-7,12,20-21H,3-5,8H2,1-2H3 |
| InChI Key | VEIMKBPJMXUHHF-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C19H19NO5 |
| Molecular Weight | 341.40 g/mol |
| Exact Mass | 341.12632271 g/mol |
| Topological Polar Surface Area (TPSA) | 69.20 Ų |
| XlogP | 2.40 |
| 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(19),2,4(8),9,16(20),17-hexaen-17-ol](https://plantaedb.com/storage/docs/compounds/2023/11/8d5adc40-855b-11ee-b1b7-0ba16d7e3c17.jpg "2D Structure of 18,19-Dimethoxy-5,7-dioxa-13-azapentacyclo[10.7.1.02,10.04,8.016,20]icosa-1(19),2,4(8),9,16(20),17-hexaen-17-ol")
| 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 |
|---|---|---|---|---|
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 99.17% | 91.11% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 97.32% | 91.49% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 94.55% | 96.77% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 92.90% | 96.09% |
| CHEMBL215 | P09917 | Arachidonate 5-lipoxygenase | 91.83% | 92.68% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 91.51% | 97.09% |
| CHEMBL2041 | P07949 | Tyrosine-protein kinase receptor RET | 91.40% | 91.79% |
| CHEMBL2581 | P07339 | Cathepsin D | 91.02% | 98.95% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 90.37% | 86.33% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 90.36% | 94.45% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 89.51% | 95.89% |
| CHEMBL3880 | P07900 | Heat shock protein HSP 90-alpha | 89.43% | 96.21% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 89.30% | 92.62% |
| CHEMBL3438 | Q05513 | Protein kinase C zeta | 88.57% | 88.48% |
| CHEMBL4225 | P49760 | Dual specificity protein kinase CLK2 | 87.91% | 80.96% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 87.73% | 99.17% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 87.23% | 90.00% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 87.14% | 100.00% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 86.97% | 89.00% |
| CHEMBL4481 | P35228 | Nitric oxide synthase, inducible | 86.83% | 94.80% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 85.28% | 93.99% |
| CHEMBL2535 | P11166 | Glucose transporter | 84.97% | 98.75% |
| CHEMBL5311 | P37023 | Serine/threonine-protein kinase receptor R3 | 84.55% | 82.67% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 83.69% | 95.56% |
| CHEMBL2056 | P21728 | Dopamine D1 receptor | 83.05% | 91.00% |
| CHEMBL3231 | Q13464 | Rho-associated protein kinase 1 | 81.47% | 95.55% |
| CHEMBL213 | P08588 | Beta-1 adrenergic receptor | 80.62% | 95.56% |
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 |
| Xylopia parviflora |
| PubChem | 75968593 |
| LOTUS | LTS0167674 |
| wikiData | Q105284613 |