(9E)-16-chloro-17,19-dihydroxy-4-methyl-3,7-dioxatricyclo[13.4.0.06,8]nonadeca-1(15),9,11,16,18-pentaene-2,13-dione
| Internal ID | f34b3a50-45a1-43cb-a97d-a6f5bb873894 |
| Taxonomy | Benzenoids > Benzene and substituted derivatives > Benzoic acids and derivatives > Hydroxybenzoic acid derivatives |
| IUPAC Name | (9E)-16-chloro-17,19-dihydroxy-4-methyl-3,7-dioxatricyclo[13.4.0.06,8]nonadeca-1(15),9,11,16,18-pentaene-2,13-dione |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C18H17ClO6/c1-9-6-15-14(25-15)5-3-2-4-10(20)7-11-16(18(23)24-9)12(21)8-13(22)17(11)19/h2-5,8-9,14-15,21-22H,6-7H2,1H3/b4-2?,5-3+ |
| InChI Key | WYZWZEOGROVVHK-FWXDBXGDSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C18H17ClO6 |
| Molecular Weight | 364.80 g/mol |
| Exact Mass | 364.0713660 g/mol |
| Topological Polar Surface Area (TPSA) | 96.40 Ų |
| XlogP | 3.40 |
| There are no found synonyms. |
![2D Structure of (9E)-16-chloro-17,19-dihydroxy-4-methyl-3,7-dioxatricyclo[13.4.0.06,8]nonadeca-1(15),9,11,16,18-pentaene-2,13-dione](https://plantaedb.com/storage/docs/compounds/2023/11/43b79ad0-8548-11ee-a3e9-47fe25535b62.jpg "2D Structure of (9E)-16-chloro-17,19-dihydroxy-4-methyl-3,7-dioxatricyclo[13.4.0.06,8]nonadeca-1(15),9,11,16,18-pentaene-2,13-dione")
| Target | Value | Probability (raw) | Probability (%) |
|---|---|---|---|
| No predicted properties yet! | |||
Proven Targets:
| CHEMBL ID | UniProt ID | Name | Min activity | Assay type | Source |
|---|---|---|---|---|---|
| CHEMBL5586 | P16152 | Carbonyl reductase [NADPH] 1 |
520 nM |
Ki |
via Super-PRED
|
| CHEMBL3880 | P07900 | Heat shock protein HSP 90-alpha |
1.2 nM |
Kd |
via Super-PRED
|
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta |
2.2 nM |
Kd |
via Super-PRED
|
| CHEMBL1293294 | P51151 | Ras-related protein Rab-9A |
562.3 nM |
Potency |
via Super-PRED
|
Predicted Targets (via Super-PRED):
| CHEMBL ID | UniProt ID | Name | Probability | Model accuracy |
|---|---|---|---|---|
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 99.31% | 91.11% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 96.09% | 91.49% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 94.14% | 97.25% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 92.46% | 90.00% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 92.39% | 95.56% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 91.32% | 94.45% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 90.35% | 93.40% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 90.06% | 86.33% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 87.21% | 94.73% |
| CHEMBL2535 | P11166 | Glucose transporter | 85.48% | 98.75% |
| CHEMBL2094127 | P06493 | Cyclin-dependent kinase 1/cyclin B | 84.50% | 96.00% |
| CHEMBL1293267 | Q9HC97 | G-protein coupled receptor 35 | 83.27% | 89.34% |
| CHEMBL2581 | P07339 | Cathepsin D | 83.03% | 98.95% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 82.89% | 96.95% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 82.06% | 97.09% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 80.94% | 91.07% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 80.87% | 94.00% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 80.08% | 90.71% |
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.
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| There are no matching plants. |
| PubChem | 135121972 |
| LOTUS | LTS0202774 |
| wikiData | Q105322846 |