2,4,5-Trihydroxy-7-methyl-1-(2,4,7,10-tetrahydroxy-7-methyl-5-oxo-6,8-dihydroanthracen-1-yl)anthracene-9,10-dione
| Internal ID | 17a230ed-4f46-4ba2-a206-fa0e5ba7b9a9 |
| Taxonomy | Benzenoids > Anthracenes > Anthraquinones > Hydroxyanthraquinones |
| IUPAC Name | 2,4,5-trihydroxy-7-methyl-1-(2,4,7,10-tetrahydroxy-7-methyl-5-oxo-6,8-dihydroanthracen-1-yl)anthracene-9,10-dione |
| SMILES (Canonical) | CC1=CC2=C(C(=C1)O)C(=O)C3=C(C=C(C(=C3C2=O)C4=C(C=C(C5=C4C=C6CC(CC(=O)C6=C5O)(C)O)O)O)O)O |
| SMILES (Isomeric) | CC1=CC2=C(C(=C1)O)C(=O)C3=C(C=C(C(=C3C2=O)C4=C(C=C(C5=C4C=C6CC(CC(=O)C6=C5O)(C)O)O)O)O)O |
| InChI | InChI=1S/C30H22O10/c1-10-3-13-23(14(31)4-10)29(39)25-18(35)7-17(34)24(26(25)27(13)37)21-12-5-11-8-30(2,40)9-19(36)20(11)28(38)22(12)16(33)6-15(21)32/h3-7,31-35,38,40H,8-9H2,1-2H3 |
| InChI Key | OMLJFDWROIDYEX-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C30H22O10 |
| Molecular Weight | 542.50 g/mol |
| Exact Mass | 542.12129689 g/mol |
| Topological Polar Surface Area (TPSA) | 193.00 Ų |
| XlogP | 4.40 |
| There are no found synonyms. |
| 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 | 99.26% | 91.11% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 97.57% | 91.49% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 96.06% | 89.00% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 95.36% | 95.56% |
| CHEMBL2581 | P07339 | Cathepsin D | 95.16% | 98.95% |
| CHEMBL2041 | P07949 | Tyrosine-protein kinase receptor RET | 94.85% | 91.79% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 93.65% | 99.23% |
| CHEMBL3880 | P07900 | Heat shock protein HSP 90-alpha | 92.95% | 96.21% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 92.75% | 94.75% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 88.70% | 93.99% |
| CHEMBL2378 | P30307 | Dual specificity phosphatase Cdc25C | 87.45% | 96.67% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 87.13% | 96.09% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 87.08% | 92.94% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 87.07% | 85.14% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 86.64% | 94.00% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 86.39% | 93.03% |
| CHEMBL3351 | Q13085 | Acetyl-CoA carboxylase 1 | 84.45% | 93.04% |
| CHEMBL2056 | P21728 | Dopamine D1 receptor | 84.44% | 91.00% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 84.01% | 100.00% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 82.82% | 99.15% |
| CHEMBL215 | P09917 | Arachidonate 5-lipoxygenase | 82.33% | 92.68% |
| CHEMBL2964 | P36507 | Dual specificity mitogen-activated protein kinase kinase 2 | 81.96% | 80.00% |
| CHEMBL217 | P14416 | Dopamine D2 receptor | 81.38% | 95.62% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 81.12% | 90.00% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 80.44% | 91.19% |
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 | 101678889 |
| LOTUS | LTS0133777 |
| wikiData | Q105194379 |