Arnoamine D
| Internal ID | 58fc6c9d-acc5-4635-8631-1657de9c0f9b |
| Taxonomy | Organoheterocyclic compounds > Quinolines and derivatives > Benzoquinolines > Pyridoacridines > Pyrido[2,3,4-kl]acridines |
| IUPAC Name | N-(13-hydroxy-8,15-diazapentacyclo[9.6.2.02,7.08,19.014,18]nonadeca-1(18),2,4,6,9,11(19),12,14,16-nonaen-9-yl)-3-methylbut-2-enamide |
| SMILES (Canonical) | CC(=CC(=O)NC1=CC2=C3N1C4=CC=CC=C4C5=C3C(=NC=C5)C(=C2)O)C |
| SMILES (Isomeric) | CC(=CC(=O)NC1=CC2=C3N1C4=CC=CC=C4C5=C3C(=NC=C5)C(=C2)O)C |
| InChI | InChI=1S/C22H17N3O2/c1-12(2)9-19(27)24-18-11-13-10-17(26)21-20-15(7-8-23-21)14-5-3-4-6-16(14)25(18)22(13)20/h3-11,26H,1-2H3,(H,24,27) |
| InChI Key | IWIBKNRYVHDQHU-UHFFFAOYSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C22H17N3O2 |
| Molecular Weight | 355.40 g/mol |
| Exact Mass | 355.132076794 g/mol |
| Topological Polar Surface Area (TPSA) | 66.60 Ų |
| XlogP | 5.30 |
| CHEMBL2419311 |
| 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 |
|---|---|---|---|---|
| CHEMBL1951 | P21397 | Monoamine oxidase A | 99.04% | 91.49% |
| CHEMBL2581 | P07339 | Cathepsin D | 95.21% | 98.95% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 94.55% | 89.00% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 94.46% | 85.14% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 94.14% | 96.09% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 91.99% | 99.23% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 91.66% | 91.11% |
| CHEMBL301 | P24941 | Cyclin-dependent kinase 2 | 91.32% | 91.23% |
| CHEMBL308 | P06493 | Cyclin-dependent kinase 1 | 90.85% | 91.73% |
| CHEMBL5409 | Q8TDU6 | G-protein coupled bile acid receptor 1 | 90.52% | 93.65% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 89.37% | 86.33% |
| CHEMBL2535 | P11166 | Glucose transporter | 88.17% | 98.75% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 87.89% | 99.17% |
| CHEMBL2107 | P61073 | C-X-C chemokine receptor type 4 | 86.89% | 93.10% |
| CHEMBL1868 | P17948 | Vascular endothelial growth factor receptor 1 | 86.13% | 96.47% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 84.96% | 95.56% |
| CHEMBL2378 | P30307 | Dual specificity phosphatase Cdc25C | 84.79% | 96.67% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 84.25% | 90.00% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 83.11% | 95.50% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 82.64% | 96.00% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 81.91% | 94.00% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 80.99% | 94.73% |
| CHEMBL2094127 | P06493 | Cyclin-dependent kinase 1/cyclin B | 80.82% | 96.00% |
| CHEMBL3476 | O15111 | Inhibitor of nuclear factor kappa B kinase alpha subunit | 80.69% | 95.83% |
| CHEMBL3864 | Q06124 | Protein-tyrosine phosphatase 2C | 80.69% | 94.42% |
| CHEMBL1293277 | O15118 | Niemann-Pick C1 protein | 80.24% | 81.11% |
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.
| Aframomum daniellii |
| PubChem | 73346121 |
| NPASS | NPC103687 |
| ChEMBL | CHEMBL2419311 |