2-chloro-1,3,8-trihydroxy-6-[(2S)-2-hydroxypropyl]anthracene-9,10-dione
| Internal ID | 7f085d68-567d-4786-8836-73abdbe2b2d7 |
| Taxonomy | Benzenoids > Anthracenes > Anthraquinones > Hydroxyanthraquinones |
| IUPAC Name | 2-chloro-1,3,8-trihydroxy-6-[(2S)-2-hydroxypropyl]anthracene-9,10-dione |
| SMILES (Canonical) | CC(CC1=CC2=C(C(=C1)O)C(=O)C3=C(C(=C(C=C3C2=O)O)Cl)O)O |
| SMILES (Isomeric) | C[C@@H](CC1=CC2=C(C(=C1)O)C(=O)C3=C(C(=C(C=C3C2=O)O)Cl)O)O |
| InChI | InChI=1S/C17H13ClO6/c1-6(19)2-7-3-8-12(10(20)4-7)16(23)13-9(15(8)22)5-11(21)14(18)17(13)24/h3-6,19-21,24H,2H2,1H3/t6-/m0/s1 |
| InChI Key | RILOVTGOFDASJT-LURJTMIESA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C17H13ClO6 |
| Molecular Weight | 348.70 g/mol |
| Exact Mass | 348.0400658 g/mol |
| Topological Polar Surface Area (TPSA) | 115.00 Ų |
| XlogP | 3.00 |
| There are no found synonyms. |
![2D Structure of 2-chloro-1,3,8-trihydroxy-6-[(2S)-2-hydroxypropyl]anthracene-9,10-dione](https://plantaedb.com/storage/docs/compounds/2023/11/2-chloro-138-trihydroxy-6-2s-2-hydroxypropylanthracene-910-dione.jpg "2D Structure of 2-chloro-1,3,8-trihydroxy-6-[(2S)-2-hydroxypropyl]anthracene-9,10-dione")
| 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 | 99.30% | 98.95% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 94.90% | 91.11% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 91.93% | 90.00% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 91.23% | 94.73% |
| CHEMBL1293267 | Q9HC97 | G-protein coupled receptor 35 | 90.63% | 89.34% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 89.80% | 99.15% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 89.46% | 96.09% |
| CHEMBL4361 | Q07820 | Induced myeloid leukemia cell differentiation protein Mcl-1 | 88.59% | 95.52% |
| CHEMBL4835 | P00338 | L-lactate dehydrogenase A chain | 88.57% | 95.34% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 87.67% | 95.56% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 87.60% | 90.71% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 87.05% | 94.45% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 85.28% | 89.00% |
| CHEMBL4685 | P14902 | Indoleamine 2,3-dioxygenase | 84.82% | 96.38% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 83.79% | 85.14% |
| CHEMBL3492 | P49721 | Proteasome Macropain subunit | 83.48% | 90.24% |
| CHEMBL2378 | P30307 | Dual specificity phosphatase Cdc25C | 83.19% | 96.67% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 82.68% | 95.93% |
| CHEMBL5163 | Q9NY46 | Sodium channel protein type III alpha subunit | 82.38% | 96.90% |
| CHEMBL5314 | Q06418 | Tyrosine-protein kinase receptor TYRO3 | 81.31% | 96.00% |
| CHEMBL3880 | P07900 | Heat shock protein HSP 90-alpha | 80.91% | 96.21% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 80.84% | 94.00% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 80.72% | 96.77% |
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.
| There are no matching plants. |
| PubChem | 125416090 |
| LOTUS | LTS0126385 |
| wikiData | Q103815932 |