6-(1-Hydroxyethyl)-5,6-dihydrochelerythrine
| Internal ID | a330d241-53b6-4403-8d6e-165bb5340a02 |
| Taxonomy | Alkaloids and derivatives > Benzophenanthridine alkaloids > Dihydrobenzophenanthridine alkaloids |
| IUPAC Name | 1-(1,2-dimethoxy-12-methyl-13H-[1,3]benzodioxolo[5,6-c]phenanthridin-13-yl)ethanol |
| SMILES (Canonical) | CC(C1C2=C(C=CC(=C2OC)OC)C3=C(N1C)C4=CC5=C(C=C4C=C3)OCO5)O |
| SMILES (Isomeric) | CC(C1C2=C(C=CC(=C2OC)OC)C3=C(N1C)C4=CC5=C(C=C4C=C3)OCO5)O |
| InChI | InChI=1S/C23H23NO5/c1-12(25)21-20-14(7-8-17(26-3)23(20)27-4)15-6-5-13-9-18-19(29-11-28-18)10-16(13)22(15)24(21)2/h5-10,12,21,25H,11H2,1-4H3 |
| InChI Key | KGXGGTSECNVCSW-UHFFFAOYSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C23H23NO5 |
| Molecular Weight | 393.40 g/mol |
| Exact Mass | 393.15762283 g/mol |
| Topological Polar Surface Area (TPSA) | 60.40 Ų |
| XlogP | 4.00 |
| CHEMBL4793893 |
| HY-N10365 |
| CS-0434694 |
| 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 | 96.51% | 96.09% |
| CHEMBL1966 | Q02127 | Dihydroorotate dehydrogenase | 95.76% | 96.09% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 95.71% | 96.77% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 95.10% | 92.62% |
| CHEMBL2581 | P07339 | Cathepsin D | 94.54% | 98.95% |
| CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 92.85% | 89.62% |
| CHEMBL261 | P00915 | Carbonic anhydrase I | 90.28% | 96.76% |
| CHEMBL2535 | P11166 | Glucose transporter | 89.31% | 98.75% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 88.87% | 89.00% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 88.54% | 95.56% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 88.09% | 86.33% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 87.97% | 90.00% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 87.68% | 94.00% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 87.37% | 91.11% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 87.30% | 95.89% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 86.33% | 96.00% |
| CHEMBL5747 | Q92793 | CREB-binding protein | 86.20% | 95.12% |
| CHEMBL344 | Q99705 | Melanin-concentrating hormone receptor 1 | 84.73% | 92.50% |
| CHEMBL2413 | P32246 | C-C chemokine receptor type 1 | 84.40% | 89.50% |
| CHEMBL213 | P08588 | Beta-1 adrenergic receptor | 84.23% | 95.56% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 84.09% | 85.14% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 83.64% | 94.45% |
| CHEMBL4835 | P00338 | L-lactate dehydrogenase A chain | 83.52% | 95.34% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 83.51% | 99.17% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 83.28% | 83.82% |
| CHEMBL3492 | P49721 | Proteasome Macropain subunit | 81.56% | 90.24% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 81.27% | 90.71% |
| CHEMBL2716 | Q8WUI4 | Histone deacetylase 7 | 80.15% | 89.44% |
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.
| Macleaya microcarpa |
| PubChem | 162673392 |
| LOTUS | LTS0123026 |
| wikiData | Q105141026 |