2-(1,4-Dihydroxybutan-2-yl)-1,3,6,8-tetrahydroxy-9,10-anthraquinone
| Internal ID | ca9b5ae6-8fa6-47b0-b35b-f787bdc2659b |
| Taxonomy | Benzenoids > Anthracenes > Anthraquinones > Hydroxyanthraquinones |
| IUPAC Name | 2-(1,4-dihydroxybutan-2-yl)-1,3,6,8-tetrahydroxyanthracene-9,10-dione |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C18H16O8/c19-2-1-7(6-20)13-12(23)5-10-15(17(13)25)18(26)14-9(16(10)24)3-8(21)4-11(14)22/h3-5,7,19-23,25H,1-2,6H2 |
| InChI Key | ZLIRCPWCWHTYNP-UHFFFAOYSA-N |
| Popularity | 6 references in papers |
| Molecular Formula | C18H16O8 |
| Molecular Weight | 360.30 g/mol |
| Exact Mass | 360.08451746 g/mol |
| Topological Polar Surface Area (TPSA) | 156.00 Ų |
| XlogP | 1.00 |
| RefChem:935358 |
| GlyTouCan:G37079ML |
| G37079ML |
| 2-(1,4-Dihydroxybutan-2-yl)-1,3,6,8-tetrahydroxyanthracene-9,10-dione |
| MEGxm0_000168 |
| orb1991470 |
| CHEMBL5410639 |
| SCHEMBL30751752 |
| ACon0_001489 |
| ACon1_000938 |
| There are more than 10 synonyms. If you wish to see them all click here. |
| 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 | 98.18% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 97.20% | 98.95% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 92.22% | 89.00% |
| CHEMBL1929 | P47989 | Xanthine dehydrogenase | 90.10% | 96.12% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 90.05% | 99.15% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 88.38% | 96.09% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 87.82% | 95.56% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 87.26% | 91.49% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 87.01% | 90.71% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 84.13% | 90.00% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 83.63% | 94.73% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 82.59% | 99.17% |
| CHEMBL3880 | P07900 | Heat shock protein HSP 90-alpha | 82.43% | 96.21% |
| CHEMBL4016 | P42262 | Glutamate receptor ionotropic, AMPA 2 | 81.96% | 86.92% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 81.95% | 99.23% |
| CHEMBL3830 | Q2M2I8 | Adaptor-associated kinase | 81.40% | 83.10% |
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 | 22357942 |
| LOTUS | LTS0098998 |
| wikiData | Q27139777 |