19-Ethenyl-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-18-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-17-oxa-3,13-diazapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-2(10),4,6,8,15-pentaen-14-one
| Internal ID | 98d173a2-ddc9-44d7-9d08-dbe98b5a1e9c |
| Taxonomy | Organoheterocyclic compounds > Indoles and derivatives > Pyridoindoles > Beta carbolines |
| IUPAC Name | 19-ethenyl-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-18-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-17-oxa-3,13-diazapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-2(10),4,6,8,15-pentaen-14-one |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C32H40N2O13/c1-2-13-16-9-19-22-15(14-5-3-4-6-18(14)34(22)30-27(41)25(39)23(37)20(10-35)45-30)7-8-33(19)29(43)17(16)12-44-31(13)47-32-28(42)26(40)24(38)21(11-36)46-32/h2-6,12-13,16,19-21,23-28,30-32,35-42H,1,7-11H2 |
| InChI Key | WNDCKUXSUZHURI-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C32H40N2O13 |
| Molecular Weight | 660.70 g/mol |
| Exact Mass | 660.25303933 g/mol |
| Topological Polar Surface Area (TPSA) | 224.00 Ų |
| XlogP | -1.90 |
| There are no found synonyms. |
![2D Structure of 19-Ethenyl-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-18-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-17-oxa-3,13-diazapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-2(10),4,6,8,15-pentaen-14-one](https://plantaedb.com/storage/docs/compounds/2023/11/4606d1a0-859a-11ee-a52a-db89544c7bcb.jpg "2D Structure of 19-Ethenyl-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-18-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-17-oxa-3,13-diazapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-2(10),4,6,8,15-pentaen-14-one")
| 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 |
|---|---|---|---|---|
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 97.93% | 95.56% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 96.34% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 95.43% | 96.09% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 94.34% | 89.00% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 93.58% | 91.49% |
| CHEMBL2581 | P07339 | Cathepsin D | 92.88% | 98.95% |
| CHEMBL3476 | O15111 | Inhibitor of nuclear factor kappa B kinase alpha subunit | 92.27% | 95.83% |
| CHEMBL4016 | P42262 | Glutamate receptor ionotropic, AMPA 2 | 91.62% | 86.92% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 86.92% | 97.25% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 86.18% | 97.09% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 83.68% | 99.23% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 83.63% | 85.14% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 83.58% | 86.33% |
| CHEMBL5678 | P34947 | G protein-coupled receptor kinase 5 | 82.74% | 88.00% |
| CHEMBL5103 | Q969S8 | Histone deacetylase 10 | 81.61% | 90.08% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 81.38% | 94.45% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 80.53% | 95.89% |
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.
| Psychotria leiocarpa |
| PubChem | 163068630 |
| LOTUS | LTS0115119 |
| wikiData | Q105309000 |