Methyl 5-hydroxy-2,6-dimethyl-21-oxo-14-oxa-8-azahexacyclo[11.6.1.15,19.02,10.03,8.017,20]henicosa-1(19),13(20),15,17-tetraene-18-carboxylate
| Internal ID | 83957737-6bd1-4617-bc27-53a035dda320 |
| Taxonomy | Organoheterocyclic compounds > Cycloheptapyrans |
| IUPAC Name | methyl 5-hydroxy-2,6-dimethyl-21-oxo-14-oxa-8-azahexacyclo[11.6.1.15,19.02,10.03,8.017,20]henicosa-1(19),13(20),15,17-tetraene-18-carboxylate |
| SMILES (Canonical) | CC1CN2CC3CCC4=C5C(=C(C6=C5C3(C2CC1(C6=O)O)C)C(=O)OC)C=CO4 |
| SMILES (Isomeric) | CC1CN2CC3CCC4=C5C(=C(C6=C5C3(C2CC1(C6=O)O)C)C(=O)OC)C=CO4 |
| InChI | InChI=1S/C23H25NO5/c1-11-9-24-10-12-4-5-14-16-13(6-7-29-14)17(21(26)28-3)18-19(16)22(12,2)15(24)8-23(11,27)20(18)25/h6-7,11-12,15,27H,4-5,8-10H2,1-3H3 |
| InChI Key | JHCADBPJWZOJRG-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C23H25NO5 |
| Molecular Weight | 395.40 g/mol |
| Exact Mass | 395.17327290 g/mol |
| Topological Polar Surface Area (TPSA) | 80.00 Ų |
| XlogP | 2.70 |
| There are no found synonyms. |
![2D Structure of Methyl 5-hydroxy-2,6-dimethyl-21-oxo-14-oxa-8-azahexacyclo[11.6.1.15,19.02,10.03,8.017,20]henicosa-1(19),13(20),15,17-tetraene-18-carboxylate](https://plantaedb.com/storage/docs/compounds/2023/11/1a576350-853e-11ee-abd1-e16fd3d1dfd3.jpg "2D Structure of Methyl 5-hydroxy-2,6-dimethyl-21-oxo-14-oxa-8-azahexacyclo[11.6.1.15,19.02,10.03,8.017,20]henicosa-1(19),13(20),15,17-tetraene-18-carboxylate")
| 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 |
|---|---|---|---|---|
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 99.31% | 83.82% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 97.08% | 96.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 95.91% | 98.95% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 95.14% | 91.11% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 90.77% | 86.33% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 90.60% | 99.23% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 90.36% | 91.19% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 90.30% | 97.09% |
| CHEMBL3351 | Q13085 | Acetyl-CoA carboxylase 1 | 89.61% | 93.04% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 89.12% | 89.00% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 84.92% | 97.14% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 84.74% | 91.49% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 83.92% | 94.45% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 82.35% | 95.56% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 82.16% | 95.89% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 81.63% | 94.00% |
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.
| Daphniphyllum paxianum |
| PubChem | 162887610 |
| LOTUS | LTS0224583 |
| wikiData | Q105127865 |