(2S)-5-hydroxy-2-[(2S)-2-hydroxy-1-methoxypropan-2-yl]-11-methyl-1,2-dihydrofuro[2,3-c]acridin-6-one
| Internal ID | 0d7fbf01-f726-4030-86cc-bbb006a2ee27 |
| Taxonomy | Organoheterocyclic compounds > Quinolines and derivatives > Benzoquinolines > Acridines > Acridones |
| IUPAC Name | (2S)-5-hydroxy-2-[(2S)-2-hydroxy-1-methoxypropan-2-yl]-11-methyl-1,2-dihydrofuro[2,3-c]acridin-6-one |
| SMILES (Canonical) | CC(COC)(C1CC2=C(O1)C=C(C3=C2N(C4=CC=CC=C4C3=O)C)O)O |
| SMILES (Isomeric) | C[C@](COC)([C@@H]1CC2=C(O1)C=C(C3=C2N(C4=CC=CC=C4C3=O)C)O)O |
| InChI | InChI=1S/C20H21NO5/c1-20(24,10-25-3)16-8-12-15(26-16)9-14(22)17-18(12)21(2)13-7-5-4-6-11(13)19(17)23/h4-7,9,16,22,24H,8,10H2,1-3H3/t16-,20-/m0/s1 |
| InChI Key | YYTVGIBSAJVHGD-JXFKEZNVSA-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) | 79.20 Ų |
| XlogP | 2.80 |
| There are no found synonyms. |
![2D Structure of (2S)-5-hydroxy-2-[(2S)-2-hydroxy-1-methoxypropan-2-yl]-11-methyl-1,2-dihydrofuro[2,3-c]acridin-6-one](https://plantaedb.com/storage/docs/compounds/2023/11/2s-5-hydroxy-2-2s-2-hydroxy-1-methoxypropan-2-yl-11-methyl-12-dihydrofuro23-cacridin-6-one.jpg "2D Structure of (2S)-5-hydroxy-2-[(2S)-2-hydroxy-1-methoxypropan-2-yl]-11-methyl-1,2-dihydrofuro[2,3-c]acridin-6-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 |
|---|---|---|---|---|
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 99.12% | 85.14% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 98.51% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 97.99% | 98.95% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 97.41% | 95.56% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 96.97% | 96.09% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 96.26% | 97.25% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 95.64% | 93.99% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 95.26% | 89.00% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 90.75% | 94.00% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 90.69% | 86.33% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 90.65% | 99.23% |
| CHEMBL5409 | Q8TDU6 | G-protein coupled bile acid receptor 1 | 90.26% | 93.65% |
| CHEMBL2085 | P14174 | Macrophage migration inhibitory factor | 89.22% | 80.78% |
| CHEMBL215 | P09917 | Arachidonate 5-lipoxygenase | 88.42% | 92.68% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 87.93% | 91.49% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 86.20% | 92.62% |
| CHEMBL2535 | P11166 | Glucose transporter | 85.55% | 98.75% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 85.06% | 94.73% |
| CHEMBL1899 | P46098 | Serotonin 3a (5-HT3a) receptor | 81.37% | 100.00% |
| CHEMBL3384 | Q16512 | Protein kinase N1 | 80.90% | 80.71% |
| CHEMBL4051 | P13569 | Cystic fibrosis transmembrane conductance regulator | 80.21% | 95.71% |
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.
| Ruta graveolens |
| PubChem | 163066935 |
| LOTUS | LTS0097749 |
| wikiData | Q105368909 |