Methyl 13-ethylidene-18-hydroxy-5-methoxy-8-methyl-8,15-diazahexacyclo[14.2.1.01,9.02,7.010,15.012,17]nonadeca-2(7),3,5-triene-17-carboxylate
| Internal ID | 2170c30d-3f2b-431f-97fe-90d8ffcd2b5c |
| Taxonomy | Alkaloids and derivatives > Corynanthean-type alkaloids |
| IUPAC Name | methyl 13-ethylidene-18-hydroxy-5-methoxy-8-methyl-8,15-diazahexacyclo[14.2.1.01,9.02,7.010,15.012,17]nonadeca-2(7),3,5-triene-17-carboxylate |
| SMILES (Canonical) | CC=C1CN2C3CC1C4(C2CC5(C3N(C6=C5C=CC(=C6)OC)C)C4O)C(=O)OC |
| SMILES (Isomeric) | CC=C1CN2C3CC1C4(C2CC5(C3N(C6=C5C=CC(=C6)OC)C)C4O)C(=O)OC |
| InChI | InChI=1S/C23H28N2O4/c1-5-12-11-25-17-9-15(12)23(21(27)29-4)18(25)10-22(20(23)26)14-7-6-13(28-3)8-16(14)24(2)19(17)22/h5-8,15,17-20,26H,9-11H2,1-4H3 |
| InChI Key | GRDLACGKAXVGGV-UHFFFAOYSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C23H28N2O4 |
| Molecular Weight | 396.50 g/mol |
| Exact Mass | 396.20490738 g/mol |
| Topological Polar Surface Area (TPSA) | 62.20 Ų |
| XlogP | 2.10 |
| There are no found synonyms. |
![2D Structure of Methyl 13-ethylidene-18-hydroxy-5-methoxy-8-methyl-8,15-diazahexacyclo[14.2.1.01,9.02,7.010,15.012,17]nonadeca-2(7),3,5-triene-17-carboxylate](https://plantaedb.com/storage/docs/compounds/2023/11/9aaaae90-868d-11ee-8e54-dd1f7475a1b2.jpg "2D Structure of Methyl 13-ethylidene-18-hydroxy-5-methoxy-8-methyl-8,15-diazahexacyclo[14.2.1.01,9.02,7.010,15.012,17]nonadeca-2(7),3,5-triene-17-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 |
|---|---|---|---|---|
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 98.49% | 96.09% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 97.46% | 83.82% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 96.74% | 91.11% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 95.44% | 90.00% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 94.10% | 95.56% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 92.64% | 94.45% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 91.99% | 91.07% |
| CHEMBL5469 | Q14289 | Protein tyrosine kinase 2 beta | 86.92% | 91.03% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 85.35% | 95.93% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 84.70% | 95.89% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 84.68% | 86.33% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 84.53% | 96.00% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 84.04% | 97.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 83.77% | 98.95% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 83.61% | 91.19% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 82.25% | 97.14% |
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.
| There are no matching plants. |
| PubChem | 162975422 |
| LOTUS | LTS0081766 |
| wikiData | Q105015761 |