1-Hydroxy-6,8-dimethoxy-2-methyl-3-[3,4,5-trihydroxy-6-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxymethyl]oxan-2-yl]oxyanthracene-9,10-dione
| Internal ID | 540fcd92-d62b-4fb9-9298-3eb4248b0c9d |
| Taxonomy | Benzenoids > Anthracenes > Anthraquinones |
| IUPAC Name | 1-hydroxy-6,8-dimethoxy-2-methyl-3-[3,4,5-trihydroxy-6-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxymethyl]oxan-2-yl]oxyanthracene-9,10-dione |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C29H34O15/c1-9-14(7-13-18(19(9)30)23(34)17-12(21(13)32)5-11(39-3)6-15(17)40-4)43-29-27(38)25(36)22(33)16(44-29)8-41-28-26(37)24(35)20(31)10(2)42-28/h5-7,10,16,20,22,24-31,33,35-38H,8H2,1-4H3 |
| InChI Key | XFJWNKRYFKDZLO-UHFFFAOYSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C29H34O15 |
| Molecular Weight | 622.60 g/mol |
| Exact Mass | 622.18977037 g/mol |
| Topological Polar Surface Area (TPSA) | 231.00 Ų |
| XlogP | -0.40 |
| There are no found synonyms. |
![2D Structure of 1-Hydroxy-6,8-dimethoxy-2-methyl-3-[3,4,5-trihydroxy-6-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxymethyl]oxan-2-yl]oxyanthracene-9,10-dione](https://plantaedb.com/storage/docs/compounds/2023/11/7ae46760-86be-11ee-938c-3707343cdcae.jpg "2D Structure of 1-Hydroxy-6,8-dimethoxy-2-methyl-3-[3,4,5-trihydroxy-6-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxymethyl]oxan-2-yl]oxyanthracene-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 |
|---|---|---|---|---|
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 96.84% | 91.11% |
| CHEMBL3714130 | P46095 | G-protein coupled receptor 6 | 96.28% | 97.36% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 96.23% | 89.00% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 95.94% | 95.56% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 95.74% | 94.00% |
| CHEMBL2581 | P07339 | Cathepsin D | 94.93% | 98.95% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 92.22% | 96.09% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 92.14% | 86.33% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 90.44% | 96.00% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 88.62% | 94.73% |
| CHEMBL3880 | P07900 | Heat shock protein HSP 90-alpha | 88.09% | 96.21% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 87.82% | 99.15% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 85.79% | 90.00% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 85.47% | 99.17% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 85.06% | 99.23% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 84.63% | 95.89% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 84.61% | 95.93% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 83.94% | 95.89% |
| CHEMBL4016 | P42262 | Glutamate receptor ionotropic, AMPA 2 | 83.50% | 86.92% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 82.30% | 92.94% |
| CHEMBL5163 | Q9NY46 | Sodium channel protein type III alpha subunit | 81.89% | 96.90% |
| CHEMBL5925 | P22413 | Ectonucleotide pyrophosphatase/phosphodiesterase family member 1 | 81.53% | 92.38% |
| CHEMBL4581 | P52732 | Kinesin-like protein 1 | 80.60% | 93.18% |
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.
| Cassia roxburghii |
| PubChem | 162907857 |
| LOTUS | LTS0079738 |
| wikiData | Q105327069 |