(2S)-2-[(2S)-1-chloro-2-hydroxypropan-2-yl]-5-hydroxy-11-methyl-1,2-dihydrofuro[2,3-c]acridin-6-one
| Internal ID | dac418d8-e8a4-4307-a748-ecff2dc80d7f |
| Taxonomy | Organoheterocyclic compounds > Quinolines and derivatives > Benzoquinolines > Acridines > Acridones |
| IUPAC Name | (2S)-2-[(2S)-1-chloro-2-hydroxypropan-2-yl]-5-hydroxy-11-methyl-1,2-dihydrofuro[2,3-c]acridin-6-one |
| SMILES (Canonical) | CC(CCl)(C1CC2=C(O1)C=C(C3=C2N(C4=CC=CC=C4C3=O)C)O)O |
| SMILES (Isomeric) | C[C@@](CCl)([C@@H]1CC2=C(O1)C=C(C3=C2N(C4=CC=CC=C4C3=O)C)O)O |
| InChI | InChI=1S/C19H18ClNO4/c1-19(24,9-20)15-7-11-14(25-15)8-13(22)16-17(11)21(2)12-6-4-3-5-10(12)18(16)23/h3-6,8,15,22,24H,7,9H2,1-2H3/t15-,19+/m0/s1 |
| InChI Key | PGOOUZZLZBIMRI-HNAYVOBHSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C19H18ClNO4 |
| Molecular Weight | 359.80 g/mol |
| Exact Mass | 359.0924357 g/mol |
| Topological Polar Surface Area (TPSA) | 70.00 Ų |
| XlogP | 3.50 |
| There are no found synonyms. |
![2D Structure of (2S)-2-[(2S)-1-chloro-2-hydroxypropan-2-yl]-5-hydroxy-11-methyl-1,2-dihydrofuro[2,3-c]acridin-6-one](https://plantaedb.com/storage/docs/compounds/2023/11/2s-2-2s-1-chloro-2-hydroxypropan-2-yl-5-hydroxy-11-methyl-12-dihydrofuro23-cacridin-6-one.jpg "2D Structure of (2S)-2-[(2S)-1-chloro-2-hydroxypropan-2-yl]-5-hydroxy-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 |
|---|---|---|---|---|
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 98.52% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 98.09% | 98.95% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 97.94% | 85.14% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 97.92% | 95.56% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 97.53% | 97.25% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 97.24% | 93.99% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 96.06% | 89.00% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 94.29% | 91.49% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 94.15% | 96.09% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 91.39% | 86.33% |
| CHEMBL3384 | Q16512 | Protein kinase N1 | 90.22% | 80.71% |
| CHEMBL5409 | Q8TDU6 | G-protein coupled bile acid receptor 1 | 89.55% | 93.65% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 87.93% | 94.73% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 86.30% | 94.00% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 85.97% | 99.23% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 85.05% | 93.40% |
| CHEMBL2335 | P42785 | Lysosomal Pro-X carboxypeptidase | 84.41% | 100.00% |
| CHEMBL1899 | P46098 | Serotonin 3a (5-HT3a) receptor | 83.76% | 100.00% |
| CHEMBL2085 | P14174 | Macrophage migration inhibitory factor | 83.65% | 80.78% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 82.65% | 92.62% |
| CHEMBL3004 | P33527 | Multidrug resistance-associated protein 1 | 81.96% | 96.37% |
| CHEMBL2535 | P11166 | Glucose transporter | 80.72% | 98.75% |
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 chalepensis |
| Ruta graveolens |
| PubChem | 163033393 |
| LOTUS | LTS0086504 |
| wikiData | Q105208510 |