12-Hydroxy-8,11-dimethoxy-1,6-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-3,5(16),6,8,10,12,14-heptaen-2-one
| Internal ID | ee7d1eda-14d2-42b2-aff4-77bf60f576df |
| Taxonomy | Alkaloids and derivatives > Indolonaphthyridine alkaloids |
| IUPAC Name | 12-hydroxy-8,11-dimethoxy-1,6-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-3,5(16),6,8,10,12,14-heptaen-2-one |
| SMILES (Canonical) | COC1=CN=C2C=CC(=O)N3C2=C1C4=C3C=CC(=C4OC)O |
| SMILES (Isomeric) | COC1=CN=C2C=CC(=O)N3C2=C1C4=C3C=CC(=C4OC)O |
| InChI | InChI=1S/C16H12N2O4/c1-21-11-7-17-8-3-6-12(20)18-9-4-5-10(19)16(22-2)13(9)14(11)15(8)18/h3-7,19H,1-2H3 |
| InChI Key | DGEILRLBRKVUDN-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C16H12N2O4 |
| Molecular Weight | 296.28 g/mol |
| Exact Mass | 296.07970687 g/mol |
| Topological Polar Surface Area (TPSA) | 73.60 Ų |
| XlogP | 2.00 |
| There are no found synonyms. |
![2D Structure of 12-Hydroxy-8,11-dimethoxy-1,6-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-3,5(16),6,8,10,12,14-heptaen-2-one](https://plantaedb.com/storage/docs/compounds/2023/11/6c072460-8631-11ee-bb9d-97953b659e1f.jpg "2D Structure of 12-Hydroxy-8,11-dimethoxy-1,6-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-3,5(16),6,8,10,12,14-heptaen-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 | 95.15% | 96.09% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 94.56% | 94.00% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 92.87% | 95.56% |
| CHEMBL2535 | P11166 | Glucose transporter | 91.87% | 98.75% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 91.73% | 99.15% |
| CHEMBL2085 | P14174 | Macrophage migration inhibitory factor | 91.20% | 80.78% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 91.01% | 86.33% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 89.55% | 93.99% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 89.31% | 89.00% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 88.59% | 94.75% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 88.34% | 90.00% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 87.52% | 85.14% |
| CHEMBL2581 | P07339 | Cathepsin D | 87.35% | 98.95% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 86.36% | 96.00% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 86.02% | 91.11% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 82.98% | 99.17% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 82.79% | 94.45% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 82.46% | 99.23% |
| CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 82.24% | 89.62% |
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.
| Brucea mollis |
| PubChem | 163028349 |
| LOTUS | LTS0165894 |
| wikiData | Q104978636 |