1,3-dihydroxy-4-[(2S)-2-hydroxy-2-[(2S)-2-(hydroxymethyl)oxiran-2-yl]ethyl]-10-methylacridin-9-one
| Internal ID | e41bb31b-6f30-4206-bd64-dba142ce2a90 |
| Taxonomy | Organoheterocyclic compounds > Quinolines and derivatives > Benzoquinolines > Acridines > Acridones |
| IUPAC Name | 1,3-dihydroxy-4-[(2S)-2-hydroxy-2-[(2S)-2-(hydroxymethyl)oxiran-2-yl]ethyl]-10-methylacridin-9-one |
| SMILES (Canonical) | CN1C2=CC=CC=C2C(=O)C3=C(C=C(C(=C31)CC(C4(CO4)CO)O)O)O |
| SMILES (Isomeric) | CN1C2=CC=CC=C2C(=O)C3=C(C=C(C(=C31)C[C@@H]([C@@]4(CO4)CO)O)O)O |
| InChI | InChI=1S/C19H19NO6/c1-20-12-5-3-2-4-10(12)18(25)16-14(23)7-13(22)11(17(16)20)6-15(24)19(8-21)9-26-19/h2-5,7,15,21-24H,6,8-9H2,1H3/t15-,19-/m0/s1 |
| InChI Key | AMTARKGBEDEJCB-KXBFYZLASA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C19H19NO6 |
| Molecular Weight | 357.40 g/mol |
| Exact Mass | 357.12123733 g/mol |
| Topological Polar Surface Area (TPSA) | 114.00 Ų |
| XlogP | 1.40 |
| There are no found synonyms. |
![2D Structure of 1,3-dihydroxy-4-[(2S)-2-hydroxy-2-[(2S)-2-(hydroxymethyl)oxiran-2-yl]ethyl]-10-methylacridin-9-one](https://plantaedb.com/storage/docs/compounds/2023/11/13-dihydroxy-4-2s-2-hydroxy-2-2s-2-hydroxymethyloxiran-2-ylethyl-10-methylacridin-9-one.jpg "2D Structure of 1,3-dihydroxy-4-[(2S)-2-hydroxy-2-[(2S)-2-(hydroxymethyl)oxiran-2-yl]ethyl]-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 | 99.45% | 98.95% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 98.45% | 91.11% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 98.00% | 95.56% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 97.29% | 89.00% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 96.97% | 85.14% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 95.74% | 93.99% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 93.89% | 96.09% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 85.48% | 94.73% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 84.72% | 94.00% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 84.56% | 99.15% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 84.23% | 99.23% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 83.81% | 97.25% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 83.15% | 90.00% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 80.96% | 86.33% |
| CHEMBL1944495 | P28065 | Proteasome subunit beta type-9 | 80.79% | 97.50% |
| CHEMBL2964 | P36507 | Dual specificity mitogen-activated protein kinase kinase 2 | 80.06% | 80.00% |
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.
| Boenninghausenia albiflora |
| PubChem | 163187568 |
| LOTUS | LTS0106530 |
| wikiData | Q104914926 |