1,3,5-Trihydroxy-2-methyl-6-[3,4,5-trihydroxy-6-[(3,4,5-trihydroxyoxan-2-yl)oxymethyl]oxan-2-yl]oxyanthracene-9,10-dione
| Internal ID | a67a0b6f-2d93-4c46-b6ac-9b186f1a26cd |
| Taxonomy | Benzenoids > Anthracenes > Anthraquinones > Hydroxyanthraquinones |
| IUPAC Name | 1,3,5-trihydroxy-2-methyl-6-[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)OC4C(C(C(C(O4)COC5C(C(C(CO5)O)O)O)O)O)O)O)O |
| SMILES (Isomeric) | CC1=C(C=C2C(=C1O)C(=O)C3=C(C2=O)C(=C(C=C3)OC4C(C(C(C(O4)COC5C(C(C(CO5)O)O)O)O)O)O)O)O |
| InChI | InChI=1S/C26H28O15/c1-7-10(27)4-9-15(16(7)29)17(30)8-2-3-12(20(33)14(8)18(9)31)40-26-24(37)22(35)21(34)13(41-26)6-39-25-23(36)19(32)11(28)5-38-25/h2-4,11,13,19,21-29,32-37H,5-6H2,1H3 |
| InChI Key | PKMOIGNFEUALIL-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 1,3,5-Trihydroxy-2-methyl-6-[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/2023/11/3ee61500-8609-11ee-a6a5-394e4d3a4b23.jpg "2D Structure of 1,3,5-Trihydroxy-2-methyl-6-[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 | 99.78% | 91.49% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 98.61% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 97.80% | 98.95% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 96.34% | 89.00% |
| CHEMBL220 | P22303 | Acetylcholinesterase | 94.14% | 94.45% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 93.31% | 95.56% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 92.91% | 94.00% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 89.76% | 86.33% |
| CHEMBL3880 | P07900 | Heat shock protein HSP 90-alpha | 89.41% | 96.21% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 89.27% | 95.89% |
| CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 89.25% | 89.62% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 88.34% | 90.00% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 87.14% | 94.73% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 86.93% | 96.09% |
| CHEMBL5163 | Q9NY46 | Sodium channel protein type III alpha subunit | 86.42% | 96.90% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 85.91% | 97.09% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 85.00% | 90.71% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 84.75% | 95.93% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 83.73% | 100.00% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 82.44% | 96.00% |
| CHEMBL4016 | P42262 | Glutamate receptor ionotropic, AMPA 2 | 82.20% | 86.92% |
| CHEMBL3476 | O15111 | Inhibitor of nuclear factor kappa B kinase alpha subunit | 80.98% | 95.83% |
| CHEMBL3194 | P02766 | Transthyretin | 80.55% | 90.71% |
| CHEMBL2378 | P30307 | Dual specificity phosphatase Cdc25C | 80.21% | 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.
| Morinda citrifolia |
| PubChem | 163078830 |
| LOTUS | LTS0136996 |
| wikiData | Q105210499 |