Isoimerubrine
| Internal ID | 5617682a-7a63-485c-a673-6e62019dbb46 |
| Taxonomy | Organoheterocyclic compounds > Isoquinolines and derivatives |
| IUPAC Name | 6,14,15,16-tetramethoxy-10-azatetracyclo[7.7.1.02,8.013,17]heptadeca-1(16),2(8),3,6,9,11,13(17),14-octaen-5-one |
| SMILES (Canonical) | COC1=CC2=C(C=CC1=O)C3=C(C(=C(C4=C3C2=NC=C4)OC)OC)OC |
| SMILES (Isomeric) | COC1=CC2=C(C=CC1=O)C3=C(C(=C(C4=C3C2=NC=C4)OC)OC)OC |
| InChI | InChI=1S/C20H17NO5/c1-23-14-9-12-10(5-6-13(14)22)16-15-11(7-8-21-17(12)15)18(24-2)20(26-4)19(16)25-3/h5-9H,1-4H3 |
| InChI Key | LSZCTBVMSGTFLL-UHFFFAOYSA-N |
| Popularity | 4 references in papers |
| Molecular Formula | C20H17NO5 |
| Molecular Weight | 351.40 g/mol |
| Exact Mass | 351.11067264 g/mol |
| Topological Polar Surface Area (TPSA) | 66.90 Ų |
| XlogP | 2.30 |
| 6,14,15,16-tetramethoxy-10-azatetracyclo[7.7.1.02,8.013,17]heptadeca-1(16),2(8),3,6,9,11,13(17),14-octaen-5-one |
| 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 | 93.97% | 94.00% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 92.19% | 89.00% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 91.16% | 86.33% |
| CHEMBL2535 | P11166 | Glucose transporter | 91.13% | 98.75% |
| CHEMBL2378 | P30307 | Dual specificity phosphatase Cdc25C | 91.04% | 96.67% |
| CHEMBL2581 | P07339 | Cathepsin D | 91.03% | 98.95% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 90.48% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 89.97% | 96.09% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 89.14% | 85.14% |
| CHEMBL1907 | P15144 | Aminopeptidase N | 89.05% | 93.31% |
| CHEMBL4306 | P22460 | Voltage-gated potassium channel subunit Kv1.5 | 88.78% | 94.03% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 86.51% | 96.00% |
| CHEMBL5747 | Q92793 | CREB-binding protein | 85.91% | 95.12% |
| CHEMBL2094127 | P06493 | Cyclin-dependent kinase 1/cyclin B | 85.00% | 96.00% |
| CHEMBL4224 | P49759 | Dual specificty protein kinase CLK1 | 84.46% | 85.30% |
| CHEMBL2335 | P42785 | Lysosomal Pro-X carboxypeptidase | 83.87% | 100.00% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 83.54% | 91.49% |
| CHEMBL1868 | P17948 | Vascular endothelial growth factor receptor 1 | 82.63% | 96.47% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 82.44% | 95.56% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 82.27% | 90.00% |
| CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 81.90% | 89.62% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 80.74% | 99.17% |
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.
| Abuta grandifolia |
| Cissampelos pareira |
| PubChem | 9884814 |
| LOTUS | LTS0035282 |
| wikiData | Q105156855 |