Methyl 2-(6-methoxy-8-propanoyl-8,16-diazapentacyclo[10.6.1.01,9.02,7.016,19]nonadeca-2(7),3,5-trien-12-yl)acetate
| Internal ID | 4c9ea027-df7c-49af-abc9-04ae60c188c4 |
| Taxonomy | Alkaloids and derivatives > Aspidospermatan-type alkaloids |
| IUPAC Name | methyl 2-(6-methoxy-8-propanoyl-8,16-diazapentacyclo[10.6.1.01,9.02,7.016,19]nonadeca-2(7),3,5-trien-12-yl)acetate |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C24H32N2O4/c1-4-19(27)26-18-9-11-23(15-20(28)30-3)10-6-13-25-14-12-24(18,22(23)25)16-7-5-8-17(29-2)21(16)26/h5,7-8,18,22H,4,6,9-15H2,1-3H3 |
| InChI Key | YUMPPRJUVFVXJC-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C24H32N2O4 |
| Molecular Weight | 412.50 g/mol |
| Exact Mass | 412.23620751 g/mol |
| Topological Polar Surface Area (TPSA) | 59.10 Ų |
| XlogP | 2.80 |
| There are no found synonyms. |
![2D Structure of Methyl 2-(6-methoxy-8-propanoyl-8,16-diazapentacyclo[10.6.1.01,9.02,7.016,19]nonadeca-2(7),3,5-trien-12-yl)acetate](https://plantaedb.com/storage/docs/compounds/2023/11/c78a9950-85d9-11ee-abe3-6f3a6980d7ab.jpg "2D Structure of Methyl 2-(6-methoxy-8-propanoyl-8,16-diazapentacyclo[10.6.1.01,9.02,7.016,19]nonadeca-2(7),3,5-trien-12-yl)acetate")
| 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 | 99.29% | 96.09% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 93.65% | 83.82% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 92.93% | 86.33% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 92.39% | 91.11% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 91.84% | 95.56% |
| CHEMBL2581 | P07339 | Cathepsin D | 89.72% | 98.95% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 88.83% | 95.89% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 88.71% | 90.17% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 87.22% | 93.03% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 86.01% | 90.71% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 85.82% | 97.09% |
| CHEMBL3474 | P14555 | Phospholipase A2 group IIA | 85.53% | 94.05% |
| CHEMBL5028 | O14672 | ADAM10 | 85.07% | 97.50% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 84.44% | 92.62% |
| CHEMBL335 | P18031 | Protein-tyrosine phosphatase 1B | 84.44% | 95.17% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 84.23% | 94.45% |
| CHEMBL3430907 | Q96GD4 | Aurora kinase B/Inner centromere protein | 83.16% | 97.50% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 82.26% | 91.19% |
| CHEMBL2535 | P11166 | Glucose transporter | 81.37% | 98.75% |
| CHEMBL2041 | P07949 | Tyrosine-protein kinase receptor RET | 81.04% | 91.79% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 80.33% | 90.00% |
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.
| Tabernaemontana amygdalifolia |
| PubChem | 162922435 |
| LOTUS | LTS0074579 |
| wikiData | Q105363914 |