Methyl 15-ethyl-6-methoxy-3-methyl-3,17-diazapentacyclo[12.3.1.02,10.04,9.012,17]octadeca-2(10),4(9),5,7-tetraene-13-carboxylate
| Internal ID | 59c92cec-fab1-43ee-a3d9-6fff4b68dce1 |
| Taxonomy | Alkaloids and derivatives > Macroline alkaloids |
| IUPAC Name | methyl 15-ethyl-6-methoxy-3-methyl-3,17-diazapentacyclo[12.3.1.02,10.04,9.012,17]octadeca-2(10),4(9),5,7-tetraene-13-carboxylate |
| SMILES (Canonical) | CCC1CN2C3CC1C(C2CC4=C3N(C5=C4C=CC(=C5)OC)C)C(=O)OC |
| SMILES (Isomeric) | CCC1CN2C3CC1C(C2CC4=C3N(C5=C4C=CC(=C5)OC)C)C(=O)OC |
| InChI | InChI=1S/C22H28N2O3/c1-5-12-11-24-18-10-16-14-7-6-13(26-3)8-17(14)23(2)21(16)19(24)9-15(12)20(18)22(25)27-4/h6-8,12,15,18-20H,5,9-11H2,1-4H3 |
| InChI Key | DXGHVLZILBNGCQ-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C22H28N2O3 |
| Molecular Weight | 368.50 g/mol |
| Exact Mass | 368.20999276 g/mol |
| Topological Polar Surface Area (TPSA) | 43.70 Ų |
| XlogP | 3.20 |
| There are no found synonyms. |
![2D Structure of Methyl 15-ethyl-6-methoxy-3-methyl-3,17-diazapentacyclo[12.3.1.02,10.04,9.012,17]octadeca-2(10),4(9),5,7-tetraene-13-carboxylate](https://plantaedb.com/storage/docs/compounds/2023/11/1c913190-86a8-11ee-a2f4-f7d957c60d0a.jpg "2D Structure of Methyl 15-ethyl-6-methoxy-3-methyl-3,17-diazapentacyclo[12.3.1.02,10.04,9.012,17]octadeca-2(10),4(9),5,7-tetraene-13-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 | 99.48% | 96.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 96.80% | 91.11% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 94.76% | 85.14% |
| CHEMBL2581 | P07339 | Cathepsin D | 94.25% | 98.95% |
| CHEMBL255 | P29275 | Adenosine A2b receptor | 93.52% | 98.59% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 92.15% | 95.56% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 90.10% | 99.17% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 88.39% | 97.25% |
| CHEMBL2292 | Q13627 | Dual-specificity tyrosine-phosphorylation regulated kinase 1A | 85.86% | 93.24% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 85.45% | 95.93% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 85.10% | 86.33% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 84.78% | 95.89% |
| CHEMBL2535 | P11166 | Glucose transporter | 83.78% | 98.75% |
| CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 83.15% | 93.00% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 83.08% | 92.62% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 83.05% | 94.45% |
| CHEMBL1907 | P15144 | Aminopeptidase N | 82.28% | 93.31% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 80.75% | 97.09% |
| CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 80.44% | 89.62% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 80.07% | 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 divaricata |
| PubChem | 14845646 |
| LOTUS | LTS0211221 |
| wikiData | Q104990995 |