1,3,5-trihydroxy-2-[(1R)-1-hydroxy-3-methylbut-3-enyl]-10-methyl-4-(3-methylbut-2-enyl)acridin-9-one
| Internal ID | f833723f-4571-4fed-9056-609039b766fb |
| Taxonomy | Organoheterocyclic compounds > Quinolines and derivatives > Benzoquinolines > Acridines > Acridones |
| IUPAC Name | 1,3,5-trihydroxy-2-[(1R)-1-hydroxy-3-methylbut-3-enyl]-10-methyl-4-(3-methylbut-2-enyl)acridin-9-one |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C24H27NO5/c1-12(2)9-10-15-21-19(24(30)18(22(15)28)17(27)11-13(3)4)23(29)14-7-6-8-16(26)20(14)25(21)5/h6-9,17,26-28,30H,3,10-11H2,1-2,4-5H3/t17-/m1/s1 |
| InChI Key | ZPEKNJNERIWQEE-QGZVFWFLSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C24H27NO5 |
| Molecular Weight | 409.50 g/mol |
| Exact Mass | 409.18892296 g/mol |
| Topological Polar Surface Area (TPSA) | 101.00 Ų |
| XlogP | 5.40 |
| There are no found synonyms. |
![2D Structure of 1,3,5-trihydroxy-2-[(1R)-1-hydroxy-3-methylbut-3-enyl]-10-methyl-4-(3-methylbut-2-enyl)acridin-9-one](https://plantaedb.com/storage/docs/compounds/2023/11/135-trihydroxy-2-1r-1-hydroxy-3-methylbut-3-enyl-10-methyl-4-3-methylbut-2-enylacridin-9-one.jpg "2D Structure of 1,3,5-trihydroxy-2-[(1R)-1-hydroxy-3-methylbut-3-enyl]-10-methyl-4-(3-methylbut-2-enyl)acridin-9-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 |
|---|---|---|---|---|
| CHEMBL2581 | P07339 | Cathepsin D | 99.62% | 98.95% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 97.86% | 91.11% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 96.94% | 95.56% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 94.61% | 91.49% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 93.94% | 93.99% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 92.89% | 96.09% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 92.58% | 89.00% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 92.05% | 94.45% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 91.67% | 85.14% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 91.46% | 94.73% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 90.16% | 94.75% |
| CHEMBL5103 | Q969S8 | Histone deacetylase 10 | 85.76% | 90.08% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 82.68% | 86.33% |
| CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 81.08% | 97.21% |
| CHEMBL2265 | P23141 | Acyl coenzyme A:cholesterol acyltransferase | 80.74% | 85.94% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 80.61% | 99.23% |
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.
| Bosistoa transversa |
| PubChem | 163064945 |
| LOTUS | LTS0085435 |
| wikiData | Q105380869 |