7-Oxohernagine
| Internal ID | b568c574-d233-4d10-a688-bcd0797e6ea0 |
| Taxonomy | Alkaloids and derivatives > Aporphines |
| IUPAC Name | 4-hydroxy-3,15,16-trimethoxy-10-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2(7),3,5,9,11,13,15-octaen-8-one |
| SMILES (Canonical) | COC1=C(C2=C3C(=C1)C=CN=C3C(=O)C4=C2C(=C(C=C4)O)OC)OC |
| SMILES (Isomeric) | COC1=C(C2=C3C(=C1)C=CN=C3C(=O)C4=C2C(=C(C=C4)O)OC)OC |
| InChI | InChI=1S/C19H15NO5/c1-23-12-8-9-6-7-20-16-13(9)15(19(12)25-3)14-10(17(16)22)4-5-11(21)18(14)24-2/h4-8,21H,1-3H3 |
| InChI Key | LCDNFJJWLKOWBV-UHFFFAOYSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C19H15NO5 |
| Molecular Weight | 337.30 g/mol |
| Exact Mass | 337.09502258 g/mol |
| Topological Polar Surface Area (TPSA) | 77.90 Ų |
| XlogP | 3.10 |
| hydroxy(trimethoxy)[?]one |
| 7H-Dibenzo[de,g]quinolin-7-one, 10-hydroxy-1,2,11-trimethoxy- |
| 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 |
|---|---|---|---|---|
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 96.70% | 94.00% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 95.72% | 91.49% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 94.63% | 99.15% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 93.66% | 91.11% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 92.77% | 86.33% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 92.69% | 89.00% |
| CHEMBL2378 | P30307 | Dual specificity phosphatase Cdc25C | 92.47% | 96.67% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 91.47% | 85.14% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 88.74% | 94.75% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 88.56% | 99.23% |
| CHEMBL2581 | P07339 | Cathepsin D | 88.53% | 98.95% |
| CHEMBL3864 | Q06124 | Protein-tyrosine phosphatase 2C | 88.13% | 94.42% |
| CHEMBL5747 | Q92793 | CREB-binding protein | 87.89% | 95.12% |
| CHEMBL5014 | O43353 | Serine/threonine-protein kinase RIPK2 | 87.64% | 86.79% |
| CHEMBL2535 | P11166 | Glucose transporter | 87.32% | 98.75% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 86.39% | 96.09% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 85.38% | 95.56% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 85.30% | 96.00% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 85.19% | 99.17% |
| CHEMBL2085 | P14174 | Macrophage migration inhibitory factor | 83.80% | 80.78% |
| CHEMBL2094127 | P06493 | Cyclin-dependent kinase 1/cyclin B | 82.89% | 96.00% |
| CHEMBL4306 | P22460 | Voltage-gated potassium channel subunit Kv1.5 | 82.74% | 94.03% |
| CHEMBL2335 | P42785 | Lysosomal Pro-X carboxypeptidase | 82.33% | 100.00% |
| CHEMBL215 | P09917 | Arachidonate 5-lipoxygenase | 81.92% | 92.68% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 80.36% | 90.00% |
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.
| Hernandia nymphaeifolia |
| Lindera chunii |
| PubChem | 500430 |
| LOTUS | LTS0208500 |
| wikiData | Q105149780 |