10-Methoxy vincamedine
| Internal ID | bd864d23-293f-46b5-b0ea-67f40b778ba1 |
| Taxonomy | Alkaloids and derivatives > Corynanthean-type alkaloids |
| IUPAC Name | methyl (1R,13E,16S)-18-acetyloxy-13-ethylidene-4-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=C(C=C6)OC)C)C4OC(=O)C)C(=O)OC |
| SMILES (Isomeric) | C/C=C\1/CN2[C@H]3C[C@@]45C(C2CC1C3(C4OC(=O)C)C(=O)OC)N(C6=C5C=C(C=C6)OC)C |
| InChI | InChI=1S/C25H30N2O5/c1-6-14-12-27-19-10-16(14)25(23(29)31-5)20(27)11-24(22(25)32-13(2)28)17-9-15(30-4)7-8-18(17)26(3)21(19)24/h6-9,16,19-22H,10-12H2,1-5H3/b14-6-/t16?,19?,20-,21?,22?,24+,25?/m0/s1 |
| InChI Key | QZNINFGIPGLDDT-GBRXKAABSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C25H30N2O5 |
| Molecular Weight | 438.50 g/mol |
| Exact Mass | 438.21547206 g/mol |
| Topological Polar Surface Area (TPSA) | 68.30 Ų |
| XlogP | 2.10 |
| NSC603536 |
| NSC-603536 |
| 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 | 98.47% | 96.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 96.43% | 91.11% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 96.07% | 94.45% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 95.01% | 90.00% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 93.12% | 95.56% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 89.32% | 91.07% |
| CHEMBL5469 | Q14289 | Protein tyrosine kinase 2 beta | 89.08% | 91.03% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 85.95% | 86.33% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 85.64% | 91.19% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 84.03% | 95.89% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 83.27% | 97.09% |
| CHEMBL2535 | P11166 | Glucose transporter | 82.25% | 98.75% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 82.10% | 96.00% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 81.94% | 95.89% |
| CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 81.30% | 93.00% |
| CHEMBL2581 | P07339 | Cathepsin D | 80.20% | 98.95% |
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 sphaerocapitata |
| PubChem | 11969612 |
| LOTUS | LTS0192993 |
| wikiData | Q104396916 |