16-Ethyl-11-aza-1-azoniapentacyclo[13.2.2.01,13.04,12.05,10]nonadeca-4(12),5(10),6,8-tetraen-8-ol
| Internal ID | 07df54e6-6b85-4498-b32f-026b66efac31 |
| Taxonomy | Organoheterocyclic compounds > Indoles and derivatives > Pyridoindoles > Beta carbolines |
| IUPAC Name | 16-ethyl-11-aza-1-azoniapentacyclo[13.2.2.01,13.04,12.05,10]nonadeca-4(12),5(10),6,8-tetraen-8-ol |
| SMILES (Canonical) | CCC1C[N+]23CCC1CC2C4=C(CC3)C5=C(N4)C=C(C=C5)O |
| SMILES (Isomeric) | CCC1C[N+]23CCC1CC2C4=C(CC3)C5=C(N4)C=C(C=C5)O |
| InChI | InChI=1S/C19H24N2O/c1-2-12-11-21-7-5-13(12)9-18(21)19-16(6-8-21)15-4-3-14(22)10-17(15)20-19/h3-4,10,12-13,18,20H,2,5-9,11H2,1H3/p+1 |
| InChI Key | FSZWMVOPDDTKGW-UHFFFAOYSA-O |
| Popularity | 0 references in papers |
| Molecular Formula | C19H25N2O+ |
| Molecular Weight | 297.40 g/mol |
| Exact Mass | 297.196688425 g/mol |
| Topological Polar Surface Area (TPSA) | 36.00 Ų |
| XlogP | 3.30 |
| There are no found synonyms. |
![2D Structure of 16-Ethyl-11-aza-1-azoniapentacyclo[13.2.2.01,13.04,12.05,10]nonadeca-4(12),5(10),6,8-tetraen-8-ol](https://plantaedb.com/storage/docs/compounds/2023/11/16-ethyl-11-aza-1-azoniapentacyclo1322011304120510nonadeca-41251068-tetraen-8-ol.jpg "2D Structure of 16-Ethyl-11-aza-1-azoniapentacyclo[13.2.2.01,13.04,12.05,10]nonadeca-4(12),5(10),6,8-tetraen-8-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 |
|---|---|---|---|---|
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 97.94% | 94.45% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 97.93% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 97.64% | 96.09% |
| CHEMBL242 | Q92731 | Estrogen receptor beta | 95.98% | 98.35% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 95.11% | 97.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 94.00% | 98.95% |
| CHEMBL3155 | P34969 | Serotonin 7 (5-HT7) receptor | 90.82% | 90.71% |
| CHEMBL216 | P11229 | Muscarinic acetylcholine receptor M1 | 89.99% | 94.23% |
| CHEMBL206 | P03372 | Estrogen receptor alpha | 89.13% | 97.64% |
| CHEMBL2535 | P11166 | Glucose transporter | 88.88% | 98.75% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 88.65% | 95.56% |
| CHEMBL2288 | Q13526 | Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 | 88.41% | 91.71% |
| CHEMBL2041 | P07949 | Tyrosine-protein kinase receptor RET | 88.37% | 91.79% |
| CHEMBL1907594 | P30926 | Neuronal acetylcholine receptor; alpha3/beta4 | 87.74% | 97.23% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 86.35% | 95.89% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 86.24% | 100.00% |
| CHEMBL255 | P29275 | Adenosine A2b receptor | 84.97% | 98.59% |
| CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 84.07% | 89.62% |
| CHEMBL217 | P14416 | Dopamine D2 receptor | 84.05% | 95.62% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 83.92% | 93.99% |
| CHEMBL213 | P08588 | Beta-1 adrenergic receptor | 83.68% | 95.56% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 82.41% | 92.94% |
| CHEMBL1991 | O14920 | Inhibitor of nuclear factor kappa B kinase beta subunit | 82.25% | 97.15% |
| CHEMBL1952 | P04818 | Thymidylate synthase | 81.29% | 93.53% |
| CHEMBL6136 | O60341 | Lysine-specific histone demethylase 1 | 80.79% | 95.58% |
| CHEMBL4681 | P42330 | Aldo-keto-reductase family 1 member C3 | 80.29% | 89.05% |
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.
| Ophiorrhiza blumeana |
| Ophiorrhiza bracteata |
| PubChem | 85390615 |
| LOTUS | LTS0074495 |
| wikiData | Q103796000 |