methyl (1R,10S,12R,13E,14S,17S,18S,19R)-13-ethylidene-17-hydroxy-4,6-dimethoxy-16-oxa-8,15-diazahexacyclo[10.6.1.01,9.02,7.010,15.014,18]nonadeca-2(7),3,5,8-tetraene-19-carboxylate
| Internal ID | 95faf7a6-9e78-4f4c-89d3-951d340e994c |
| Taxonomy | Organoheterocyclic compounds > Indoles and derivatives > Indoles > 3-alkylindoles |
| IUPAC Name | methyl (1R,10S,12R,13E,14S,17S,18S,19R)-13-ethylidene-17-hydroxy-4,6-dimethoxy-16-oxa-8,15-diazahexacyclo[10.6.1.01,9.02,7.010,15.014,18]nonadeca-2(7),3,5,8-tetraene-19-carboxylate |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C22H24N2O6/c1-5-10-11-8-13-19-22(15(11)20(25)29-4,16-18(10)24(13)30-21(16)26)12-6-9(27-2)7-14(28-3)17(12)23-19/h5-7,11,13,15-16,18,21,26H,8H2,1-4H3/b10-5+/t11-,13-,15-,16-,18+,21-,22-/m0/s1 |
| InChI Key | IZJXWXGTDBFHQB-KBAKQQQHSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C22H24N2O6 |
| Molecular Weight | 412.40 g/mol |
| Exact Mass | 412.16343649 g/mol |
| Topological Polar Surface Area (TPSA) | 89.80 Ų |
| XlogP | 0.90 |
| There are no found synonyms. |
![2D Structure of methyl (1R,10S,12R,13E,14S,17S,18S,19R)-13-ethylidene-17-hydroxy-4,6-dimethoxy-16-oxa-8,15-diazahexacyclo[10.6.1.01,9.02,7.010,15.014,18]nonadeca-2(7),3,5,8-tetraene-19-carboxylate](https://plantaedb.com/storage/docs/compounds/2023/11/0e53bdb0-85e9-11ee-9432-d9a78af2e193.jpg "2D Structure of methyl (1R,10S,12R,13E,14S,17S,18S,19R)-13-ethylidene-17-hydroxy-4,6-dimethoxy-16-oxa-8,15-diazahexacyclo[10.6.1.01,9.02,7.010,15.014,18]nonadeca-2(7),3,5,8-tetraene-19-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 |
|---|---|---|---|---|
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 99.20% | 85.14% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 98.68% | 96.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 94.56% | 91.11% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 91.82% | 95.56% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 90.72% | 94.45% |
| CHEMBL2243 | O00519 | Anandamide amidohydrolase | 90.08% | 97.53% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 88.47% | 95.89% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 86.07% | 94.00% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 85.36% | 90.71% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 85.36% | 95.89% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 84.84% | 86.33% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 84.80% | 91.07% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 84.63% | 92.62% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 84.52% | 91.19% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 83.76% | 90.00% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 82.70% | 99.17% |
| CHEMBL2335 | P42785 | Lysosomal Pro-X carboxypeptidase | 82.70% | 100.00% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 81.42% | 89.00% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 81.39% | 96.00% |
| CHEMBL3880 | P07900 | Heat shock protein HSP 90-alpha | 81.28% | 96.21% |
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 macrophylla |
| PubChem | 163192964 |
| LOTUS | LTS0083099 |
| wikiData | Q105123254 |