1,5,6-Trihydroxy-2-methyl-3-[3,4,5-trihydroxy-6-[(3,4,5-trihydroxyoxan-2-yl)oxymethyl]oxan-2-yl]oxyanthracene-9,10-dione
| Internal ID | a3721a19-abef-42f0-8ef8-7aa11cac4f11 |
| Taxonomy | Benzenoids > Anthracenes > Anthraquinones > Hydroxyanthraquinones |
| IUPAC Name | 1,5,6-trihydroxy-2-methyl-3-[3,4,5-trihydroxy-6-[(3,4,5-trihydroxyoxan-2-yl)oxymethyl]oxan-2-yl]oxyanthracene-9,10-dione |
| SMILES (Canonical) | CC1=C(C=C2C(=C1O)C(=O)C3=C(C2=O)C(=C(C=C3)O)O)OC4C(C(C(C(O4)COC5C(C(C(CO5)O)O)O)O)O)O |
| SMILES (Isomeric) | CC1=C(C=C2C(=C1O)C(=O)C3=C(C2=O)C(=C(C=C3)O)O)OC4C(C(C(C(O4)COC5C(C(C(CO5)O)O)O)O)O)O |
| InChI | InChI=1S/C26H28O15/c1-7-12(4-9-15(16(7)29)17(30)8-2-3-10(27)19(32)14(8)18(9)31)40-26-24(37)22(35)21(34)13(41-26)6-39-25-23(36)20(33)11(28)5-38-25/h2-4,11,13,20-29,32-37H,5-6H2,1H3 |
| InChI Key | FATNCJZCOOPLKZ-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C26H28O15 |
| Molecular Weight | 580.50 g/mol |
| Exact Mass | 580.14282018 g/mol |
| Topological Polar Surface Area (TPSA) | 253.00 Ų |
| XlogP | -1.00 |
| There are no found synonyms. |
![2D Structure of 1,5,6-Trihydroxy-2-methyl-3-[3,4,5-trihydroxy-6-[(3,4,5-trihydroxyoxan-2-yl)oxymethyl]oxan-2-yl]oxyanthracene-9,10-dione](https://plantaedb.com/storage/docs/compounds/2023/11/101ad4a0-8669-11ee-a5f8-73b1332bb1ec.jpg "2D Structure of 1,5,6-Trihydroxy-2-methyl-3-[3,4,5-trihydroxy-6-[(3,4,5-trihydroxyoxan-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 |
|---|---|---|---|---|
| CHEMBL1951 | P21397 | Monoamine oxidase A | 99.26% | 91.49% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 98.83% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 97.39% | 98.95% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 96.59% | 89.00% |
| CHEMBL220 | P22303 | Acetylcholinesterase | 96.16% | 94.45% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 95.44% | 95.56% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 93.47% | 94.00% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 92.27% | 95.93% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 90.70% | 99.15% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 89.10% | 94.73% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 88.84% | 96.09% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 88.10% | 95.89% |
| CHEMBL3880 | P07900 | Heat shock protein HSP 90-alpha | 87.90% | 96.21% |
| CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 87.46% | 89.62% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 85.64% | 86.33% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 85.35% | 97.09% |
| CHEMBL5163 | Q9NY46 | Sodium channel protein type III alpha subunit | 84.88% | 96.90% |
| CHEMBL3476 | O15111 | Inhibitor of nuclear factor kappa B kinase alpha subunit | 83.62% | 95.83% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 83.25% | 90.00% |
| CHEMBL4016 | P42262 | Glutamate receptor ionotropic, AMPA 2 | 82.79% | 86.92% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 82.77% | 90.71% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 82.33% | 96.00% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 82.14% | 100.00% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 81.01% | 99.23% |
| CHEMBL2378 | P30307 | Dual specificity phosphatase Cdc25C | 81.00% | 96.67% |
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.
| Capsicum annuum |
| Neonauclea calycina |
| PubChem | 162861202 |
| LOTUS | LTS0083846 |
| wikiData | Q105135733 |