17-Ethylidene-3-methyl-15-oxa-3,20-diazapentacyclo[10.7.1.02,10.04,9.013,18]icosa-2(10),4,6,8-tetraen-16-one
| Internal ID | 580c642f-ba31-42e4-a3d6-8302160cb9bb |
| Taxonomy | Alkaloids and derivatives > Macroline alkaloids |
| IUPAC Name | 17-ethylidene-3-methyl-15-oxa-3,20-diazapentacyclo[10.7.1.02,10.04,9.013,18]icosa-2(10),4,6,8-tetraen-16-one |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C20H22N2O2/c1-3-11-13-8-17-19-14(12-6-4-5-7-18(12)22(19)2)9-16(21-17)15(13)10-24-20(11)23/h3-7,13,15-17,21H,8-10H2,1-2H3 |
| InChI Key | MXJZROHBCMNZRV-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C20H22N2O2 |
| Molecular Weight | 322.40 g/mol |
| Exact Mass | 322.168127949 g/mol |
| Topological Polar Surface Area (TPSA) | 43.30 Ų |
| XlogP | 2.50 |
| There are no found synonyms. |
![2D Structure of 17-Ethylidene-3-methyl-15-oxa-3,20-diazapentacyclo[10.7.1.02,10.04,9.013,18]icosa-2(10),4,6,8-tetraen-16-one](https://plantaedb.com/storage/docs/compounds/2023/11/d4cb6ac0-85f9-11ee-9fc8-85b14b1b8a8c.jpg "2D Structure of 17-Ethylidene-3-methyl-15-oxa-3,20-diazapentacyclo[10.7.1.02,10.04,9.013,18]icosa-2(10),4,6,8-tetraen-16-one")
| 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 |
|---|---|---|---|---|
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 98.69% | 95.56% |
| CHEMBL2581 | P07339 | Cathepsin D | 95.40% | 98.95% |
| CHEMBL255 | P29275 | Adenosine A2b receptor | 95.08% | 98.59% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 91.26% | 89.00% |
| CHEMBL5103 | Q969S8 | Histone deacetylase 10 | 89.12% | 90.08% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 88.79% | 97.25% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 88.64% | 99.23% |
| CHEMBL262 | P49841 | Glycogen synthase kinase-3 beta | 87.24% | 95.72% |
| CHEMBL220 | P22303 | Acetylcholinesterase | 86.83% | 94.45% |
| CHEMBL1899 | P46098 | Serotonin 3a (5-HT3a) receptor | 86.50% | 100.00% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 85.93% | 97.09% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 84.43% | 93.99% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 84.40% | 85.14% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 83.47% | 96.09% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 82.97% | 93.40% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 82.89% | 95.93% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 81.83% | 91.49% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 81.41% | 91.11% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 80.99% | 86.33% |
| CHEMBL3384 | Q16512 | Protein kinase N1 | 80.97% | 80.71% |
| CHEMBL5805 | Q9NR97 | Toll-like receptor 8 | 80.54% | 96.25% |
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.
| Alstonia angustifolia |
| PubChem | 74033533 |
| LOTUS | LTS0089963 |
| wikiData | Q105174237 |