1,3-Dihydroxy-4-(3-hydroxy-3-methylbut-1-enyl)-10-methylacridin-9-one
| Internal ID | ab8a3115-a06b-4b33-a9e0-83ae91cd689d |
| Taxonomy | Organoheterocyclic compounds > Quinolines and derivatives > Benzoquinolines > Acridines > Acridones |
| IUPAC Name | 1,3-dihydroxy-4-(3-hydroxy-3-methylbut-1-enyl)-10-methylacridin-9-one |
| SMILES (Canonical) | CC(C)(C=CC1=C2C(=C(C=C1O)O)C(=O)C3=CC=CC=C3N2C)O |
| SMILES (Isomeric) | CC(C)(C=CC1=C2C(=C(C=C1O)O)C(=O)C3=CC=CC=C3N2C)O |
| InChI | InChI=1S/C19H19NO4/c1-19(2,24)9-8-12-14(21)10-15(22)16-17(12)20(3)13-7-5-4-6-11(13)18(16)23/h4-10,21-22,24H,1-3H3 |
| InChI Key | APGMOMIVXYRQES-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C19H19NO4 |
| Molecular Weight | 325.40 g/mol |
| Exact Mass | 325.13140809 g/mol |
| Topological Polar Surface Area (TPSA) | 81.00 Ų |
| XlogP | 3.30 |
| There are no found synonyms. |
| 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 |
|---|---|---|---|---|
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 99.05% | 95.56% |
| CHEMBL2581 | P07339 | Cathepsin D | 98.44% | 98.95% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 96.39% | 89.00% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 94.36% | 93.99% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 93.21% | 91.11% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 92.96% | 94.73% |
| CHEMBL2085 | P14174 | Macrophage migration inhibitory factor | 91.98% | 80.78% |
| CHEMBL5409 | Q8TDU6 | G-protein coupled bile acid receptor 1 | 90.74% | 93.65% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 89.35% | 91.49% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 89.08% | 85.14% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 89.06% | 86.33% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 81.08% | 96.09% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 81.03% | 93.03% |
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.
| Boenninghausenia albiflora |
| PubChem | 163026171 |
| LOTUS | LTS0103123 |
| wikiData | Q104916253 |