methyl (1S,9R,12S,13E,18R)-13-ethylidene-8-methyl-10-oxo-8,15-diazapentacyclo[10.5.1.01,9.02,7.09,15]octadeca-2,4,6-triene-18-carboxylate
| Internal ID | fe7d7ce3-4d63-49f9-a8df-883868b7bc60 |
| Taxonomy | Organoheterocyclic compounds > Indoles and derivatives > Carbazoles |
| IUPAC Name | methyl (1S,9R,12S,13E,18R)-13-ethylidene-8-methyl-10-oxo-8,15-diazapentacyclo[10.5.1.01,9.02,7.09,15]octadeca-2,4,6-triene-18-carboxylate |
| SMILES (Canonical) | CC=C1CN2CCC34C2(C(=O)CC1C3C(=O)OC)N(C5=CC=CC=C45)C |
| SMILES (Isomeric) | C/C=C\1/CN2CC[C@]34[C@]2(C(=O)C[C@H]1[C@H]3C(=O)OC)N(C5=CC=CC=C45)C |
| InChI | InChI=1S/C21H24N2O3/c1-4-13-12-23-10-9-20-15-7-5-6-8-16(15)22(2)21(20,23)17(24)11-14(13)18(20)19(25)26-3/h4-8,14,18H,9-12H2,1-3H3/b13-4-/t14-,18+,20-,21-/m1/s1 |
| InChI Key | OVWZWXBYBKIZDC-NFLCVTDISA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C21H24N2O3 |
| Molecular Weight | 352.40 g/mol |
| Exact Mass | 352.17869263 g/mol |
| Topological Polar Surface Area (TPSA) | 49.90 Ų |
| XlogP | 1.70 |
| There are no found synonyms. |
![2D Structure of methyl (1S,9R,12S,13E,18R)-13-ethylidene-8-methyl-10-oxo-8,15-diazapentacyclo[10.5.1.01,9.02,7.09,15]octadeca-2,4,6-triene-18-carboxylate](https://plantaedb.com/storage/docs/compounds/2023/11/0a2bbe40-855c-11ee-9798-9d586e3eb4d7.jpg "2D Structure of methyl (1S,9R,12S,13E,18R)-13-ethylidene-8-methyl-10-oxo-8,15-diazapentacyclo[10.5.1.01,9.02,7.09,15]octadeca-2,4,6-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 | 96.14% | 96.09% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 95.01% | 95.56% |
| CHEMBL2581 | P07339 | Cathepsin D | 93.49% | 98.95% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 92.37% | 86.33% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 89.17% | 99.23% |
| CHEMBL5028 | O14672 | ADAM10 | 86.56% | 97.50% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 84.96% | 90.00% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 83.37% | 93.03% |
| CHEMBL2335 | P42785 | Lysosomal Pro-X carboxypeptidase | 82.45% | 100.00% |
| CHEMBL3476 | O15111 | Inhibitor of nuclear factor kappa B kinase alpha subunit | 81.90% | 95.83% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 81.79% | 85.14% |
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.
| Vinca minor |
| PubChem | 163188306 |
| LOTUS | LTS0052330 |
| wikiData | Q105201489 |