CID 441584
| Internal ID | 8812a4ad-8dd8-4c17-9b4c-33b923df3bb8 |
| Taxonomy | Organoheterocyclic compounds > Quinolines and derivatives > Benzoquinolines > Phenanthridines and derivatives |
| IUPAC Name | (1S,10R,12R)-5,6,12-trimethoxy-9-azatetracyclo[7.5.2.01,10.02,7]hexadeca-2,4,6,13-tetraen-4-ol |
| SMILES (Canonical) | COC1CC2C3(CCN2CC4=C(C(=C(C=C43)O)OC)OC)C=C1 |
| SMILES (Isomeric) | CO[C@@H]1C[C@@H]2[C@@]3(CCN2CC4=C(C(=C(C=C43)O)OC)OC)C=C1 |
| InChI | InChI=1S/C18H23NO4/c1-21-11-4-5-18-6-7-19(15(18)8-11)10-12-13(18)9-14(20)17(23-3)16(12)22-2/h4-5,9,11,15,20H,6-8,10H2,1-3H3/t11-,15+,18+/m0/s1 |
| InChI Key | FADGQBPUPGSTJB-BKGUAONASA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C18H23NO4 |
| Molecular Weight | 317.40 g/mol |
| Exact Mass | 317.16270821 g/mol |
| Topological Polar Surface Area (TPSA) | 51.20 Ų |
| XlogP | 2.00 |
| DTXSID40988434 |
| CHEBI:182957 |
| C08516 |
| 3,7,8-Trimethoxy-4,4a-dihydro-3H,6H-5,10b-ethanophenanthridin-9-ol |
| (1S,10R,12R)-5,6,12-Trimethoxy-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 | 97.90% | 96.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 97.75% | 91.11% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 91.90% | 94.45% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 91.15% | 85.14% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 89.33% | 90.00% |
| CHEMBL5469 | Q14289 | Protein tyrosine kinase 2 beta | 87.68% | 91.03% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 87.26% | 86.33% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 86.48% | 93.40% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 86.08% | 97.09% |
| CHEMBL2041 | P07949 | Tyrosine-protein kinase receptor RET | 85.60% | 91.79% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 83.71% | 92.94% |
| CHEMBL217 | P14416 | Dopamine D2 receptor | 82.59% | 95.62% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 82.55% | 95.89% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 82.34% | 90.71% |
| CHEMBL2069156 | Q14145 | Kelch-like ECH-associated protein 1 | 81.78% | 82.38% |
| CHEMBL2535 | P11166 | Glucose transporter | 81.24% | 98.75% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 80.27% | 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.
| Amaryllis belladonna |
| PubChem | 441584 |
| LOTUS | LTS0019583 |
| wikiData | Q104992182 |