(10R)-4-chloro-10-[(9S)-2,4-dihydroxy-5-methoxy-7-methyl-10-oxo-9H-anthracen-9-yl]-1,3-dihydroxy-8-methoxy-6-methyl-10H-anthracen-9-one
| Internal ID | 7e92ee98-636e-4fc8-b932-730406717404 |
| Taxonomy | Benzenoids > Anthracenes |
| IUPAC Name | (10R)-4-chloro-10-[(9S)-2,4-dihydroxy-5-methoxy-7-methyl-10-oxo-9H-anthracen-9-yl]-1,3-dihydroxy-8-methoxy-6-methyl-10H-anthracen-9-one |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C32H25ClO8/c1-12-5-15-23(17-9-14(34)10-18(35)24(17)31(38)25(15)21(7-12)40-3)27-16-6-13(2)8-22(41-4)26(16)32(39)28-19(36)11-20(37)30(33)29(27)28/h5-11,23,27,34-37H,1-4H3/t23-,27-/m0/s1 |
| InChI Key | XTZHVTOVVQVQKP-HOFKKMOUSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C32H25ClO8 |
| Molecular Weight | 573.00 g/mol |
| Exact Mass | 572.1237954 g/mol |
| Topological Polar Surface Area (TPSA) | 134.00 Ų |
| XlogP | 7.10 |
| There are no found synonyms. |
![2D Structure of (10R)-4-chloro-10-[(9S)-2,4-dihydroxy-5-methoxy-7-methyl-10-oxo-9H-anthracen-9-yl]-1,3-dihydroxy-8-methoxy-6-methyl-10H-anthracen-9-one](https://plantaedb.com/storage/docs/compounds/2023/11/af58fa80-8725-11ee-9c26-1b339a39d0e1.jpg "2D Structure of (10R)-4-chloro-10-[(9S)-2,4-dihydroxy-5-methoxy-7-methyl-10-oxo-9H-anthracen-9-yl]-1,3-dihydroxy-8-methoxy-6-methyl-10H-anthracen-9-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 | 97.46% | 91.11% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 96.13% | 95.56% |
| CHEMBL2581 | P07339 | Cathepsin D | 95.20% | 98.95% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 91.87% | 94.45% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 89.45% | 96.09% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 86.44% | 89.00% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 85.76% | 99.15% |
| CHEMBL3194 | P02766 | Transthyretin | 85.46% | 90.71% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 85.15% | 90.00% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 84.97% | 92.94% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 84.78% | 94.00% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 83.85% | 91.19% |
| CHEMBL1929 | P47989 | Xanthine dehydrogenase | 83.75% | 96.12% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 82.65% | 93.03% |
| CHEMBL4685 | P14902 | Indoleamine 2,3-dioxygenase | 82.47% | 96.38% |
| CHEMBL4247 | Q9UM73 | ALK tyrosine kinase receptor | 81.30% | 96.86% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 81.29% | 86.33% |
| CHEMBL5163 | Q9NY46 | Sodium channel protein type III alpha subunit | 81.25% | 96.90% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 81.19% | 94.73% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 80.99% | 94.75% |
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.
| There are no matching plants. |
| PubChem | 162876540 |
| LOTUS | LTS0055393 |
| wikiData | Q105342009 |