4,9-Dihydroxy-2-(2-hydroxypropan-2-yl)-10-methyl-11-(3-methylbut-2-enyl)-2,3-dihydrofuro[3,2-b]acridin-5-one
| Internal ID | 1c362a3e-4fdb-4ec5-8f09-ba5188d5fcf4 |
| Taxonomy | Organoheterocyclic compounds > Quinolines and derivatives > Benzoquinolines > Acridines > Acridones |
| IUPAC Name | 4,9-dihydroxy-2-(2-hydroxypropan-2-yl)-10-methyl-11-(3-methylbut-2-enyl)-2,3-dihydrofuro[3,2-b]acridin-5-one |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C24H27NO5/c1-12(2)9-10-14-20-18(21(27)13-7-6-8-16(26)19(13)25(20)5)22(28)15-11-17(24(3,4)29)30-23(14)15/h6-9,17,26,28-29H,10-11H2,1-5H3 |
| InChI Key | NKVOLHZBWISFHC-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C24H27NO5 |
| Molecular Weight | 409.50 g/mol |
| Exact Mass | 409.18892296 g/mol |
| Topological Polar Surface Area (TPSA) | 90.20 Ų |
| XlogP | 4.90 |
| There are no found synonyms. |
![2D Structure of 4,9-Dihydroxy-2-(2-hydroxypropan-2-yl)-10-methyl-11-(3-methylbut-2-enyl)-2,3-dihydrofuro[3,2-b]acridin-5-one](https://plantaedb.com/storage/docs/compounds/2023/11/a5c955b0-8651-11ee-9b2f-1147f25d40f5.jpg "2D Structure of 4,9-Dihydroxy-2-(2-hydroxypropan-2-yl)-10-methyl-11-(3-methylbut-2-enyl)-2,3-dihydrofuro[3,2-b]acridin-5-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 |
|---|---|---|---|---|
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 99.14% | 91.11% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 98.94% | 91.49% |
| CHEMBL2581 | P07339 | Cathepsin D | 98.63% | 98.95% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 97.27% | 94.73% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 96.88% | 95.56% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 96.84% | 93.99% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 94.30% | 89.00% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 91.99% | 95.89% |
| CHEMBL5103 | Q969S8 | Histone deacetylase 10 | 91.48% | 90.08% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 91.30% | 86.33% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 90.67% | 94.45% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 90.64% | 85.14% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 88.25% | 94.00% |
| CHEMBL217 | P14416 | Dopamine D2 receptor | 87.66% | 95.62% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 87.58% | 96.09% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 86.79% | 97.25% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 86.59% | 99.23% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 85.20% | 93.56% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 83.65% | 94.75% |
| CHEMBL3004 | P33527 | Multidrug resistance-associated protein 1 | 81.65% | 96.37% |
| CHEMBL3384 | Q16512 | Protein kinase N1 | 80.68% | 80.71% |
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.
| Citrus japonica |
| PubChem | 25172232 |
| LOTUS | LTS0098522 |
| wikiData | Q105181186 |