(1R,12S)-5,12-dimethoxy-9-azatetracyclo[7.5.2.01,10.02,7]hexadeca-2,4,6,13-tetraen-4-ol
| Internal ID | 3c4d2a43-7106-4641-a772-114d49be0cfa |
| Taxonomy | Organoheterocyclic compounds > Quinolines and derivatives > Benzoquinolines > Phenanthridines and derivatives |
| IUPAC Name | (1R,12S)-5,12-dimethoxy-9-azatetracyclo[7.5.2.01,10.02,7]hexadeca-2,4,6,13-tetraen-4-ol |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C17H21NO3/c1-20-12-3-4-17-5-6-18(16(17)8-12)10-11-7-15(21-2)14(19)9-13(11)17/h3-4,7,9,12,16,19H,5-6,8,10H2,1-2H3/t12-,16?,17+/m1/s1 |
| InChI Key | KGYVGKGCRKPXPT-PWBPUHETSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C17H21NO3 |
| Molecular Weight | 287.35 g/mol |
| Exact Mass | 287.15214353 g/mol |
| Topological Polar Surface Area (TPSA) | 41.90 Ų |
| XlogP | 2.00 |
| There are no found synonyms. |
![2D Structure of (1R,12S)-5,12-dimethoxy-9-azatetracyclo[7.5.2.01,10.02,7]hexadeca-2,4,6,13-tetraen-4-ol](https://plantaedb.com/storage/docs/compounds/2023/11/1r12s-512-dimethoxy-9-azatetracyclo7520110027hexadeca-24613-tetraen-4-ol.jpg "2D Structure of (1R,12S)-5,12-dimethoxy-9-azatetracyclo[7.5.2.01,10.02,7]hexadeca-2,4,6,13-tetraen-4-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 |
|---|---|---|---|---|
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 98.69% | 96.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 96.90% | 91.11% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 93.98% | 92.94% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 93.86% | 85.14% |
| CHEMBL5469 | Q14289 | Protein tyrosine kinase 2 beta | 93.17% | 91.03% |
| CHEMBL2041 | P07949 | Tyrosine-protein kinase receptor RET | 91.93% | 91.79% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 90.38% | 90.00% |
| CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 89.70% | 89.62% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 89.66% | 86.33% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 87.59% | 95.56% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 87.24% | 95.89% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 86.93% | 94.45% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 84.84% | 94.00% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 84.66% | 90.71% |
| CHEMBL217 | P14416 | Dopamine D2 receptor | 84.27% | 95.62% |
| CHEMBL5747 | Q92793 | CREB-binding protein | 84.10% | 95.12% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 83.17% | 97.09% |
| CHEMBL2069156 | Q14145 | Kelch-like ECH-associated protein 1 | 81.54% | 82.38% |
Below are displayed all the plants proven (via scientific papers) to contain this
compound!
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| There are no matching plants. |
| PubChem | 162871625 |
| LOTUS | LTS0103629 |
| wikiData | Q105141038 |