1,3,5-trihydroxy-2-[(2R)-2-hydroxy-3-methylbut-3-enyl]-10-methyl-4-(3-methylbut-2-enyl)acridin-9-one
| Internal ID | 50a6488b-155c-4dfa-986e-b7087b1011fd |
| Taxonomy | Organoheterocyclic compounds > Quinolines and derivatives > Benzoquinolines > Acridines > Acridones |
| IUPAC Name | 1,3,5-trihydroxy-2-[(2R)-2-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)16(22(15)28)11-18(27)13(3)4)23(29)14-7-6-8-17(26)20(14)25(21)5/h6-9,18,26-28,30H,3,10-11H2,1-2,4-5H3/t18-/m1/s1 |
| InChI Key | YYNMCGCOJLTCKR-GOSISDBHSA-N |
| Popularity | 3 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-[(2R)-2-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-2-2r-2-hydroxy-3-methylbut-3-enyl-10-methyl-4-3-methylbut-2-enylacridin-9-one.jpg "2D Structure of 1,3,5-trihydroxy-2-[(2R)-2-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 | 99.67% | 98.95% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 98.16% | 91.49% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 97.03% | 91.11% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 96.86% | 95.56% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 94.02% | 93.99% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 93.96% | 85.14% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 92.24% | 94.73% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 92.11% | 96.09% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 91.55% | 89.00% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 90.98% | 94.45% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 87.78% | 86.33% |
| CHEMBL5103 | Q969S8 | Histone deacetylase 10 | 87.13% | 90.08% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 86.82% | 94.75% |
| CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 85.70% | 97.21% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 82.28% | 99.23% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 80.19% | 95.89% |
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 | 162947150 |
| LOTUS | LTS0071958 |
| wikiData | Q105368783 |