(3R,4R)-3,4-dimethoxy-1,6-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-5,7,9(16),10,12,14-hexaen-2-one
| Internal ID | de5cbfc6-d090-46c7-9eca-d2f6018ce319 |
| Taxonomy | Alkaloids and derivatives > Indolonaphthyridine alkaloids |
| IUPAC Name | (3R,4R)-3,4-dimethoxy-1,6-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-5,7,9(16),10,12,14-hexaen-2-one |
| SMILES (Canonical) | COC1C(C(=O)N2C3=CC=CC=C3C4=C2C1=NC=C4)OC |
| SMILES (Isomeric) | CO[C@H]1[C@H](C(=O)N2C3=CC=CC=C3C4=C2C1=NC=C4)OC |
| InChI | InChI=1S/C16H14N2O3/c1-20-14-12-13-10(7-8-17-12)9-5-3-4-6-11(9)18(13)16(19)15(14)21-2/h3-8,14-15H,1-2H3/t14-,15-/m1/s1 |
| InChI Key | JWCNEMSVILJYCU-HUUCEWRRSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C16H14N2O3 |
| Molecular Weight | 282.29 g/mol |
| Exact Mass | 282.10044231 g/mol |
| Topological Polar Surface Area (TPSA) | 53.40 Ų |
| XlogP | 1.60 |
| There are no found synonyms. |
![2D Structure of (3R,4R)-3,4-dimethoxy-1,6-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-5,7,9(16),10,12,14-hexaen-2-one](https://plantaedb.com/storage/docs/compounds/2023/11/172163f0-848e-11ee-93a5-3f620f35aa38.jpg "2D Structure of (3R,4R)-3,4-dimethoxy-1,6-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-5,7,9(16),10,12,14-hexaen-2-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 |
|---|---|---|---|---|
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 97.39% | 85.14% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 94.52% | 96.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 94.39% | 98.95% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 94.06% | 91.49% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 93.55% | 95.56% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 90.94% | 89.00% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 88.98% | 99.23% |
| CHEMBL1868 | P17948 | Vascular endothelial growth factor receptor 1 | 87.83% | 96.47% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 86.03% | 86.33% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 85.45% | 94.00% |
| CHEMBL2095172 | P14867 | GABA-A receptor; alpha-1/beta-2/gamma-2 | 85.17% | 92.67% |
| CHEMBL5409 | Q8TDU6 | G-protein coupled bile acid receptor 1 | 81.88% | 93.65% |
| CHEMBL2535 | P11166 | Glucose transporter | 81.50% | 98.75% |
| CHEMBL1899 | P46098 | Serotonin 3a (5-HT3a) receptor | 81.06% | 100.00% |
| CHEMBL2094127 | P06493 | Cyclin-dependent kinase 1/cyclin B | 80.30% | 96.00% |
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.
| Eurycoma longifolia |
| PubChem | 163003548 |
| LOTUS | LTS0275332 |
| wikiData | Q105136083 |