(1R,2R,3R,4S)-1,3-diacetyloxy-11-diazonio-2,4,10-trihydroxy-2-methyl-9-oxo-3,4-dihydro-1H-benzo[b]fluoren-5-olate
| Internal ID | a9385e80-1984-4282-8b09-88627b097fa1 |
| Taxonomy | Organic oxygen compounds > Organooxygen compounds > Carbonyl compounds > Aryl ketones |
| IUPAC Name | (1R,2R,3R,4S)-1,3-diacetyloxy-11-diazonio-2,4,10-trihydroxy-2-methyl-9-oxo-3,4-dihydro-1H-benzo[b]fluoren-5-olate |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C22H18N2O9/c1-7(25)32-20-15-13(19(30)21(22(20,3)31)33-8(2)26)12-14(16(15)24-23)18(29)11-9(17(12)28)5-4-6-10(11)27/h4-6,19-21,30-31H,1-3H3,(H-,27,28,29)/t19-,20+,21+,22+/m0/s1 |
| InChI Key | MMPWFGWAKNXPLJ-DXBBTUNJSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C22H18N2O9 |
| Molecular Weight | 454.40 g/mol |
| Exact Mass | 454.10123016 g/mol |
| Topological Polar Surface Area (TPSA) | 182.00 Ų |
| XlogP | -0.40 |
| There are no found synonyms. |
![2D Structure of (1R,2R,3R,4S)-1,3-diacetyloxy-11-diazonio-2,4,10-trihydroxy-2-methyl-9-oxo-3,4-dihydro-1H-benzo[b]fluoren-5-olate](https://plantaedb.com/storage/docs/compounds/2023/11/0c4f31f0-865d-11ee-a46e-1927dea12c7b.jpg "2D Structure of (1R,2R,3R,4S)-1,3-diacetyloxy-11-diazonio-2,4,10-trihydroxy-2-methyl-9-oxo-3,4-dihydro-1H-benzo[b]fluoren-5-olate")
| 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 |
|---|---|---|---|---|
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 99.00% | 94.45% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 95.68% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 95.24% | 98.95% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 94.35% | 96.09% |
| CHEMBL4481 | P35228 | Nitric oxide synthase, inducible | 90.94% | 94.80% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 87.00% | 91.19% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 86.31% | 99.23% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 86.12% | 86.33% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 85.51% | 95.56% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 85.35% | 85.14% |
| CHEMBL2035 | P08912 | Muscarinic acetylcholine receptor M5 | 82.56% | 94.62% |
| CHEMBL1907602 | P06493 | Cyclin-dependent kinase 1/cyclin B1 | 82.14% | 91.24% |
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.
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| There are no matching plants. |
| PubChem | 161865 |
| LOTUS | LTS0209869 |
| wikiData | Q105167982 |