methyl (1R,9R,12R,13E,18R)-13-ethylidene-4-methoxy-8-methyl-8,15-diazapentacyclo[10.5.1.01,9.02,7.09,15]octadeca-2(7),3,5-triene-18-carboxylate
| Internal ID | 7c5fc4ed-ccbe-424d-b228-571a2e978279 |
| Taxonomy | Organoheterocyclic compounds > Indoles and derivatives > Carbazoles |
| IUPAC Name | methyl (1R,9R,12R,13E,18R)-13-ethylidene-4-methoxy-8-methyl-8,15-diazapentacyclo[10.5.1.01,9.02,7.09,15]octadeca-2(7),3,5-triene-18-carboxylate |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C22H28N2O3/c1-5-14-13-24-11-10-21-17-12-15(26-3)6-7-18(17)23(2)22(21,24)9-8-16(14)19(21)20(25)27-4/h5-7,12,16,19H,8-11,13H2,1-4H3/b14-5-/t16-,19-,21-,22-/m0/s1 |
| InChI Key | LEWDAIUYDSBFND-FEPZMWHTSA-N |
| Popularity | 5 references in papers |
| Molecular Formula | C22H28N2O3 |
| Molecular Weight | 368.50 g/mol |
| Exact Mass | 368.20999276 g/mol |
| Topological Polar Surface Area (TPSA) | 42.00 Ų |
| XlogP | 2.70 |
| There are no found synonyms. |
![2D Structure of methyl (1R,9R,12R,13E,18R)-13-ethylidene-4-methoxy-8-methyl-8,15-diazapentacyclo[10.5.1.01,9.02,7.09,15]octadeca-2(7),3,5-triene-18-carboxylate](https://plantaedb.com/storage/docs/compounds/2023/11/vincorine.jpg "2D Structure of methyl (1R,9R,12R,13E,18R)-13-ethylidene-4-methoxy-8-methyl-8,15-diazapentacyclo[10.5.1.01,9.02,7.09,15]octadeca-2(7),3,5-triene-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 |
|---|---|---|---|---|
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 98.46% | 96.09% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 94.49% | 95.56% |
| CHEMBL5469 | Q14289 | Protein tyrosine kinase 2 beta | 92.01% | 91.03% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 91.21% | 90.00% |
| CHEMBL2243 | O00519 | Anandamide amidohydrolase | 87.28% | 97.53% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 87.01% | 91.07% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 86.67% | 86.33% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 86.54% | 95.89% |
| CHEMBL2781 | P19634 | Sodium/hydrogen exchanger 1 | 83.36% | 90.24% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 81.78% | 94.45% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 81.47% | 97.09% |
| CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 80.57% | 93.00% |
| CHEMBL5028 | O14672 | ADAM10 | 80.11% | 97.50% |
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 |
| Alstonia macrophylla |
| PubChem | 42636514 |
| LOTUS | LTS0122897 |
| wikiData | Q105150835 |