1,4,5-Trihydroxy-2-methyl-6-(4,5,9-trihydroxy-2-methyl-10-oxoanthracen-9-yl)anthracene-9,10-dione
| Internal ID | 4e487886-43ba-47cb-86df-69d73ff4f316 |
| Taxonomy | Benzenoids > Anthracenes > Anthraquinones |
| IUPAC Name | 1,4,5-trihydroxy-2-methyl-6-(4,5,9-trihydroxy-2-methyl-10-oxoanthracen-9-yl)anthracene-9,10-dione |
| SMILES (Canonical) | CC1=CC2=C(C(=C1)O)C(=O)C3=C(C2(C4=C(C5=C(C=C4)C(=O)C6=C(C(=CC(=C6C5=O)O)C)O)O)O)C=CC=C3O |
| SMILES (Isomeric) | CC1=CC2=C(C(=C1)O)C(=O)C3=C(C2(C4=C(C5=C(C=C4)C(=O)C6=C(C(=CC(=C6C5=O)O)C)O)O)O)C=CC=C3O |
| InChI | InChI=1S/C30H20O9/c1-11-8-16-22(18(32)9-11)29(38)21-14(4-3-5-17(21)31)30(16,39)15-7-6-13-20(27(15)36)28(37)23-19(33)10-12(2)25(34)24(23)26(13)35/h3-10,31-34,36,39H,1-2H3 |
| InChI Key | YRUMLFPFVRGJGH-UHFFFAOYSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C30H20O9 |
| Molecular Weight | 524.50 g/mol |
| Exact Mass | 524.11073221 g/mol |
| Topological Polar Surface Area (TPSA) | 173.00 Ų |
| XlogP | 5.30 |
| 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 | 98.66% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 98.49% | 98.95% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 97.10% | 95.56% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 96.91% | 91.49% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 92.49% | 89.00% |
| CHEMBL2378 | P30307 | Dual specificity phosphatase Cdc25C | 90.10% | 96.67% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 89.86% | 99.23% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 89.53% | 93.03% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 88.36% | 94.73% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 87.64% | 99.15% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 86.91% | 90.00% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 86.11% | 86.33% |
| CHEMBL3492 | P49721 | Proteasome Macropain subunit | 85.68% | 90.24% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 84.78% | 94.00% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 84.60% | 94.75% |
| CHEMBL4530 | P00488 | Coagulation factor XIII | 83.22% | 96.00% |
| CHEMBL2553 | Q15418 | Ribosomal protein S6 kinase alpha 1 | 82.72% | 85.11% |
| CHEMBL4685 | P14902 | Indoleamine 2,3-dioxygenase | 82.25% | 96.38% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 81.52% | 93.40% |
| CHEMBL4481 | P35228 | Nitric oxide synthase, inducible | 80.03% | 94.80% |
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.
| Kniphofia ensifolia |
| PubChem | 13940830 |
| NPASS | NPC471683 |
| ChEMBL | CHEMBL3104733 |