(1S,15R,16S,18R,20R)-16-methyl-17-oxa-3,13-diazapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-2(10),4,6,8-tetraen-18-ol
| Internal ID | 35ae5b13-d922-4ee1-9adf-b38018be39c2 |
| Taxonomy | Organoheterocyclic compounds > Indoles and derivatives > Pyridoindoles > Beta carbolines |
| IUPAC Name | (1S,15R,16S,18R,20R)-16-methyl-17-oxa-3,13-diazapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-2(10),4,6,8-tetraen-18-ol |
| SMILES (Canonical) | CC1C2CN3CCC4=C(C3CC2CC(O1)O)NC5=CC=CC=C45 |
| SMILES (Isomeric) | C[C@H]1[C@H]2CN3CCC4=C([C@@H]3C[C@@H]2C[C@@H](O1)O)NC5=CC=CC=C45 |
| InChI | InChI=1S/C19H24N2O2/c1-11-15-10-21-7-6-14-13-4-2-3-5-16(13)20-19(14)17(21)8-12(15)9-18(22)23-11/h2-5,11-12,15,17-18,20,22H,6-10H2,1H3/t11-,12+,15+,17-,18+/m0/s1 |
| InChI Key | RXNUWTKSTOHKNN-YNLVQLNVSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C19H24N2O2 |
| Molecular Weight | 312.40 g/mol |
| Exact Mass | 312.183778013 g/mol |
| Topological Polar Surface Area (TPSA) | 48.50 Ų |
| XlogP | 2.60 |
| There are no found synonyms. |
![2D Structure of (1S,15R,16S,18R,20R)-16-methyl-17-oxa-3,13-diazapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-2(10),4,6,8-tetraen-18-ol](https://plantaedb.com/storage/docs/compounds/2023/11/46ecf320-8720-11ee-aaf7-ff6c23729ea5.jpg "2D Structure of (1S,15R,16S,18R,20R)-16-methyl-17-oxa-3,13-diazapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-2(10),4,6,8-tetraen-18-ol")
| 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 |
|---|---|---|---|---|
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 96.57% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 95.82% | 96.09% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 92.25% | 95.56% |
| CHEMBL240 | Q12809 | HERG | 92.10% | 89.76% |
| CHEMBL1914 | P06276 | Butyrylcholinesterase | 88.05% | 95.00% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 87.87% | 89.00% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 87.68% | 91.49% |
| CHEMBL2581 | P07339 | Cathepsin D | 87.40% | 98.95% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 86.87% | 97.09% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 86.63% | 93.40% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 85.93% | 85.14% |
| CHEMBL3310 | Q96DB2 | Histone deacetylase 11 | 84.95% | 88.56% |
| CHEMBL5028 | O14672 | ADAM10 | 84.55% | 97.50% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 84.51% | 99.23% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 83.37% | 93.99% |
| CHEMBL2717 | Q9HCR9 | Phosphodiesterase 11A | 80.47% | 85.00% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 80.14% | 94.00% |
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.
| Hunteria zeylanica |
| Strychnos johnsonii |
| PubChem | 163190297 |
| LOTUS | LTS0157099 |
| wikiData | Q105247188 |