1,5-dihydroxy-4-[(2R)-2-hydroxy-3-methylbut-3-enyl]-3-methoxy-10-methylacridin-9-one
| Internal ID | 3124908e-fb1a-4853-8075-724327aa02db |
| Taxonomy | Organoheterocyclic compounds > Quinolines and derivatives > Benzoquinolines > Acridines > Acridones |
| IUPAC Name | 1,5-dihydroxy-4-[(2R)-2-hydroxy-3-methylbut-3-enyl]-3-methoxy-10-methylacridin-9-one |
| SMILES (Canonical) | CC(=C)C(CC1=C(C=C(C2=C1N(C3=C(C2=O)C=CC=C3O)C)O)OC)O |
| SMILES (Isomeric) | CC(=C)[C@@H](CC1=C(C=C(C2=C1N(C3=C(C2=O)C=CC=C3O)C)O)OC)O |
| InChI | InChI=1S/C20H21NO5/c1-10(2)14(23)8-12-16(26-4)9-15(24)17-19(12)21(3)18-11(20(17)25)6-5-7-13(18)22/h5-7,9,14,22-24H,1,8H2,2-4H3/t14-/m1/s1 |
| InChI Key | DBEWENVYSYATOB-CQSZACIVSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C20H21NO5 |
| Molecular Weight | 355.40 g/mol |
| Exact Mass | 355.14197277 g/mol |
| Topological Polar Surface Area (TPSA) | 90.20 Ų |
| XlogP | 3.80 |
| There are no found synonyms. |
![2D Structure of 1,5-dihydroxy-4-[(2R)-2-hydroxy-3-methylbut-3-enyl]-3-methoxy-10-methylacridin-9-one](https://plantaedb.com/storage/docs/compounds/2023/11/15-dihydroxy-4-2r-2-hydroxy-3-methylbut-3-enyl-3-methoxy-10-methylacridin-9-one.jpg "2D Structure of 1,5-dihydroxy-4-[(2R)-2-hydroxy-3-methylbut-3-enyl]-3-methoxy-10-methylacridin-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 | 99.32% | 98.95% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 98.29% | 85.14% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 97.80% | 93.99% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 97.60% | 96.09% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 97.35% | 95.56% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 95.30% | 91.11% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 93.53% | 89.00% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 92.61% | 94.00% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 92.54% | 86.33% |
| CHEMBL2535 | P11166 | Glucose transporter | 92.13% | 98.75% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 87.14% | 91.49% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 86.44% | 94.75% |
| CHEMBL1255126 | O15151 | Protein Mdm4 | 86.16% | 90.20% |
| CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 85.09% | 97.21% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 84.82% | 99.17% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 83.91% | 99.15% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 83.84% | 94.45% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 82.56% | 95.50% |
| CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 82.52% | 89.62% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 82.18% | 94.73% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 80.99% | 96.00% |
| CHEMBL2378 | P30307 | Dual specificity phosphatase Cdc25C | 80.36% | 96.67% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 80.12% | 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.
| Citrus × aurantium |
| PubChem | 162895534 |
| LOTUS | LTS0044535 |
| wikiData | Q104974321 |