(2R)-4,9-dihydroxy-2-(2-hydroxypropan-2-yl)-11-(3-methylbut-2-enyl)-3,10-dihydro-2H-furo[3,2-b]acridin-5-one
| Internal ID | 6683aebe-9e9d-42a4-817a-c8cabd721552 |
| Taxonomy | Organoheterocyclic compounds > Quinolines and derivatives > Benzoquinolines > Acridines > Acridones |
| IUPAC Name | (2R)-4,9-dihydroxy-2-(2-hydroxypropan-2-yl)-11-(3-methylbut-2-enyl)-3,10-dihydro-2H-furo[3,2-b]acridin-5-one |
| SMILES (Canonical) | CC(=CCC1=C2C(=C(C3=C1NC4=C(C3=O)C=CC=C4O)O)CC(O2)C(C)(C)O)C |
| SMILES (Isomeric) | CC(=CCC1=C2C(=C(C3=C1NC4=C(C3=O)C=CC=C4O)O)C[C@@H](O2)C(C)(C)O)C |
| InChI | InChI=1S/C23H25NO5/c1-11(2)8-9-13-19-17(20(26)12-6-5-7-15(25)18(12)24-19)21(27)14-10-16(23(3,4)28)29-22(13)14/h5-8,16,25,27-28H,9-10H2,1-4H3,(H,24,26)/t16-/m1/s1 |
| InChI Key | OWZCKIOXGYFDRM-MRXNPFEDSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C23H25NO5 |
| Molecular Weight | 395.40 g/mol |
| Exact Mass | 395.17327290 g/mol |
| Topological Polar Surface Area (TPSA) | 99.00 Ų |
| XlogP | 4.70 |
| There are no found synonyms. |
![2D Structure of (2R)-4,9-dihydroxy-2-(2-hydroxypropan-2-yl)-11-(3-methylbut-2-enyl)-3,10-dihydro-2H-furo[3,2-b]acridin-5-one](https://plantaedb.com/storage/docs/compounds/2023/11/40f8dc90-85f8-11ee-97d7-9dbf2f46905c.jpg "2D Structure of (2R)-4,9-dihydroxy-2-(2-hydroxypropan-2-yl)-11-(3-methylbut-2-enyl)-3,10-dihydro-2H-furo[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 | 99.42% | 91.11% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 98.31% | 94.45% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 98.04% | 93.99% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 97.68% | 94.73% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 97.19% | 94.75% |
| CHEMBL2581 | P07339 | Cathepsin D | 97.02% | 98.95% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 96.67% | 91.49% |
| CHEMBL5103 | Q969S8 | Histone deacetylase 10 | 96.25% | 90.08% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 96.23% | 95.56% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 96.12% | 85.14% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 93.04% | 97.25% |
| CHEMBL1293267 | Q9HC97 | G-protein coupled receptor 35 | 92.89% | 89.34% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 91.28% | 89.00% |
| CHEMBL4224 | P49759 | Dual specificty protein kinase CLK1 | 90.31% | 85.30% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 89.58% | 99.23% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 89.34% | 97.09% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 89.13% | 95.89% |
| CHEMBL213 | P08588 | Beta-1 adrenergic receptor | 88.79% | 95.56% |
| CHEMBL3310 | Q96DB2 | Histone deacetylase 11 | 87.59% | 88.56% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 87.15% | 94.00% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 86.52% | 86.33% |
| CHEMBL2095226 | P05556 | Integrin alpha-5/beta-1 | 84.59% | 96.39% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 83.65% | 100.00% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 81.16% | 93.56% |
| CHEMBL2535 | P11166 | Glucose transporter | 80.93% | 98.75% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 80.79% | 92.62% |
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.
| Atalantia buxifolia |
| Citrus japonica |
| PubChem | 163190599 |
| LOTUS | LTS0216395 |
| wikiData | Q105202425 |