Methyl 3-[16-formyl-10-(hydroxymethyl)-14-methyl-9-oxo-16-azatetracyclo[8.7.0.02,6.013,17]heptadec-2-en-1-yl]propanoate
| Internal ID | 76c3d2a6-4011-4a24-a134-d5a0d7f75874 |
| Taxonomy | Organoheterocyclic compounds > Indoles and derivatives |
| IUPAC Name | methyl 3-[16-formyl-10-(hydroxymethyl)-14-methyl-9-oxo-16-azatetracyclo[8.7.0.02,6.013,17]heptadec-2-en-1-yl]propanoate |
| SMILES (Canonical) | CC1CN(C2C1CCC3(C2(C4=CCCC4CCC3=O)CCC(=O)OC)CO)C=O |
| SMILES (Isomeric) | CC1CN(C2C1CCC3(C2(C4=CCCC4CCC3=O)CCC(=O)OC)CO)C=O |
| InChI | InChI=1S/C23H33NO5/c1-15-12-24(14-26)21-17(15)8-10-22(13-25)19(27)7-6-16-4-3-5-18(16)23(21,22)11-9-20(28)29-2/h5,14-17,21,25H,3-4,6-13H2,1-2H3 |
| InChI Key | JTASKWMDKKUCBF-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C23H33NO5 |
| Molecular Weight | 403.50 g/mol |
| Exact Mass | 403.23587315 g/mol |
| Topological Polar Surface Area (TPSA) | 83.90 Ų |
| XlogP | 1.90 |
| There are no found synonyms. |
![2D Structure of Methyl 3-[16-formyl-10-(hydroxymethyl)-14-methyl-9-oxo-16-azatetracyclo[8.7.0.02,6.013,17]heptadec-2-en-1-yl]propanoate](https://plantaedb.com/storage/docs/compounds/2023/11/24bda880-874a-11ee-a9c4-9d16587cf92d.jpg "2D Structure of Methyl 3-[16-formyl-10-(hydroxymethyl)-14-methyl-9-oxo-16-azatetracyclo[8.7.0.02,6.013,17]heptadec-2-en-1-yl]propanoate")
| 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 |
|---|---|---|---|---|
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 99.84% | 83.82% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 98.23% | 96.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 92.88% | 98.95% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 92.63% | 91.11% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 86.88% | 95.56% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 86.13% | 99.23% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 86.06% | 82.69% |
| CHEMBL332 | P03956 | Matrix metalloproteinase-1 | 85.92% | 94.50% |
| CHEMBL4588 | P22894 | Matrix metalloproteinase 8 | 85.55% | 94.66% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 83.54% | 91.19% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 82.93% | 97.09% |
| CHEMBL5255 | O00206 | Toll-like receptor 4 | 80.99% | 92.50% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 80.71% | 99.17% |
| CHEMBL4187 | Q99250 | Sodium channel protein type II alpha subunit | 80.60% | 95.50% |
| CHEMBL1966 | Q02127 | Dihydroorotate dehydrogenase | 80.45% | 96.09% |
| CHEMBL5028 | O14672 | ADAM10 | 80.39% | 97.50% |
| CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 80.36% | 94.33% |
| CHEMBL5163 | Q9NY46 | Sodium channel protein type III alpha subunit | 80.36% | 96.90% |
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.
| Daphniphyllum glaucescens |
| PubChem | 85088458 |
| LOTUS | LTS0120118 |
| wikiData | Q105134690 |