Megistophylline II
| Internal ID | b43c5790-b20d-4d8b-b40d-ea71e5e29b1c |
| Taxonomy | Organoheterocyclic compounds > Quinolines and derivatives > Benzoquinolines > Acridines |
| IUPAC Name | 4-[(2E)-3,7-dimethylocta-2,6-dienyl]-1-hydroxy-2,4-dimethoxy-10-methylacridine-3,9-dione |
| SMILES (Canonical) | CC(=CCCC(=CCC1(C2=C(C(=C(C1=O)OC)O)C(=O)C3=CC=CC=C3N2C)OC)C)C |
| SMILES (Isomeric) | CC(=CCC/C(=C/CC1(C2=C(C(=C(C1=O)OC)O)C(=O)C3=CC=CC=C3N2C)OC)/C)C |
| InChI | InChI=1S/C26H31NO5/c1-16(2)10-9-11-17(3)14-15-26(32-6)24-20(22(29)23(31-5)25(26)30)21(28)18-12-7-8-13-19(18)27(24)4/h7-8,10,12-14,29H,9,11,15H2,1-6H3/b17-14+ |
| InChI Key | TYOPPPFKARDLAQ-SAPNQHFASA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C26H31NO5 |
| Molecular Weight | 437.50 g/mol |
| Exact Mass | 437.22022309 g/mol |
| Topological Polar Surface Area (TPSA) | 76.10 Ų |
| XlogP | 5.40 |
| 4-[(2E)-3,7-dimethylocta-2,6-dienyl]-1-hydroxy-2,4-dimethoxy-10-methylacridine-3,9-dione |
| 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 |
|---|---|---|---|---|
| CHEMBL2581 | P07339 | Cathepsin D | 97.85% | 98.95% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 97.67% | 91.11% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 97.43% | 95.56% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 97.13% | 85.14% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 94.07% | 96.09% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 91.46% | 86.33% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 89.06% | 94.73% |
| CHEMBL255 | P29275 | Adenosine A2b receptor | 86.86% | 98.59% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 86.83% | 99.23% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 86.26% | 94.75% |
| CHEMBL2095172 | P14867 | GABA-A receptor; alpha-1/beta-2/gamma-2 | 86.03% | 92.67% |
| CHEMBL4769 | O95749 | Geranylgeranyl pyrophosphate synthetase | 85.97% | 92.08% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 85.93% | 89.00% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 85.19% | 82.69% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 83.06% | 94.45% |
| CHEMBL2107 | P61073 | C-X-C chemokine receptor type 4 | 81.59% | 93.10% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 81.18% | 93.99% |
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.
| Sarcomelicope megistophylla |
| PubChem | 10670623 |
| LOTUS | LTS0190592 |
| wikiData | Q105267630 |