(3R)-3-(hydroxymethyl)-1,6-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-5,7,9(16),10,12,14-hexaen-2-one
| Internal ID | 1ea4b333-9c92-4c7d-b843-d9f723f63d63 |
| Taxonomy | Alkaloids and derivatives > Indolonaphthyridine alkaloids |
| IUPAC Name | (3R)-3-(hydroxymethyl)-1,6-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-5,7,9(16),10,12,14-hexaen-2-one |
| SMILES (Canonical) | C1C(C(=O)N2C3=CC=CC=C3C4=C2C1=NC=C4)CO |
| SMILES (Isomeric) | C1[C@@H](C(=O)N2C3=CC=CC=C3C4=C2C1=NC=C4)CO |
| InChI | InChI=1S/C15H12N2O2/c18-8-9-7-12-14-11(5-6-16-12)10-3-1-2-4-13(10)17(14)15(9)19/h1-6,9,18H,7-8H2/t9-/m1/s1 |
| InChI Key | NCRWSARLWKDUFN-SECBINFHSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C15H12N2O2 |
| Molecular Weight | 252.27 g/mol |
| Exact Mass | 252.089877630 g/mol |
| Topological Polar Surface Area (TPSA) | 55.10 Ų |
| XlogP | 2.10 |
| There are no found synonyms. |
![2D Structure of (3R)-3-(hydroxymethyl)-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/c0db5b60-855a-11ee-9b32-9f99dfc3448b.jpg "2D Structure of (3R)-3-(hydroxymethyl)-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 |
|---|---|---|---|---|
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 96.08% | 96.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 94.30% | 98.95% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 93.41% | 85.14% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 92.83% | 89.00% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 92.56% | 95.56% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 89.95% | 91.11% |
| CHEMBL3476 | O15111 | Inhibitor of nuclear factor kappa B kinase alpha subunit | 86.96% | 95.83% |
| CHEMBL1868 | P17948 | Vascular endothelial growth factor receptor 1 | 85.89% | 96.47% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 85.10% | 99.23% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 83.57% | 93.99% |
| CHEMBL3384 | Q16512 | Protein kinase N1 | 82.67% | 80.71% |
| CHEMBL2095226 | P05556 | Integrin alpha-5/beta-1 | 80.67% | 96.39% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 80.42% | 86.33% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 80.29% | 97.25% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 80.24% | 91.49% |
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 | 162867589 |
| LOTUS | LTS0192349 |
| wikiData | Q105177340 |