1H,6H-5,10b-Ethanophenanthridine-8,11-diol, 2,3,4,4a-tetrahydro-3,7,9-trimethoxy-, (3R,4aR,5R,10bR,11S)-
| Internal ID | 65941169-ae4a-4df2-a1ef-c0e69d2c72dc |
| Taxonomy | Organoheterocyclic compounds > Quinolines and derivatives > Benzoquinolines > Phenanthridines and derivatives |
| IUPAC Name | 4,6,12-trimethoxy-9-azatetracyclo[7.5.2.01,10.02,7]hexadeca-2,4,6-triene-5,15-diol |
| SMILES (Canonical) | COC1CCC23C(C1)N(CC2O)CC4=C(C(=C(C=C34)OC)O)OC |
| SMILES (Isomeric) | COC1CCC23C(C1)N(CC2O)CC4=C(C(=C(C=C34)OC)O)OC |
| InChI | InChI=1S/C18H25NO5/c1-22-10-4-5-18-12-7-13(23-2)16(21)17(24-3)11(12)8-19(9-15(18)20)14(18)6-10/h7,10,14-15,20-21H,4-6,8-9H2,1-3H3 |
| InChI Key | RRUFHULZICOXGJ-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C18H25NO5 |
| Molecular Weight | 335.40 g/mol |
| Exact Mass | 335.17327290 g/mol |
| Topological Polar Surface Area (TPSA) | 71.40 Ų |
| XlogP | 1.20 |
| 1H,6H-5,10b-Ethanophenanthridine-8,11-diol, 2,3,4,4a-tetrahydro-3,7,9-trimethoxy-, (3R,4aR,5R,10bR,11S)- |
| 72755-23-8 |
| 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 | 98.29% | 96.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 96.52% | 91.11% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 93.43% | 92.94% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 91.66% | 94.45% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 89.17% | 97.09% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 87.73% | 93.40% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 87.50% | 95.89% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 85.27% | 86.33% |
| CHEMBL2069156 | Q14145 | Kelch-like ECH-associated protein 1 | 84.47% | 82.38% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 82.76% | 85.14% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 81.32% | 92.62% |
| CHEMBL5469 | Q14289 | Protein tyrosine kinase 2 beta | 81.25% | 91.03% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 81.03% | 97.25% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 80.52% | 100.00% |
| CHEMBL2781 | P19634 | Sodium/hydrogen exchanger 1 | 80.14% | 90.24% |
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.
| Solanum havanense |
| PubChem | 162910365 |
| LOTUS | LTS0187886 |
| wikiData | Q105244348 |