Chrysophanic acid
| Internal ID | c74396df-1f42-4c4e-b72e-7de7ff5e7d9b |
| Taxonomy | Benzenoids > Anthracenes > Anthraquinones |
| IUPAC Name | 1,8-dihydroxy-3-methylanthracene-9,10-dione |
| SMILES (Canonical) | CC1=CC2=C(C(=C1)O)C(=O)C3=C(C2=O)C=CC=C3O |
| SMILES (Isomeric) | CC1=CC2=C(C(=C1)O)C(=O)C3=C(C2=O)C=CC=C3O |
| InChI | InChI=1S/C15H10O4/c1-7-5-9-13(11(17)6-7)15(19)12-8(14(9)18)3-2-4-10(12)16/h2-6,16-17H,1H3 |
| InChI Key | LQGUBLBATBMXHT-UHFFFAOYSA-N |
| Popularity | 1,224 references in papers |
| Molecular Formula | C15H10O4 |
| Molecular Weight | 254.24 g/mol |
| Exact Mass | 254.05790880 g/mol |
| Topological Polar Surface Area (TPSA) | 74.60 Ų |
| XlogP | 3.50 |
| 481-74-3 |
| CHRYSOPHANIC ACID |
| 3-Methylchrysazin |
| 1,8-Dihydroxy-3-methylanthraquinone |
| Turkey rhubarb |
| 1,8-dihydroxy-3-methylanthracene-9,10-dione |
| C.I. Natural Yellow 23 |
| NSC 37132 |
| 1,8-Dihydroxy-3-methyl-9,10-anthracenedione |
| NSC 646567 |
| 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 |
|---|---|---|---|---|---|
| CHEMBL3577 | P00352 | Aldehyde dehydrogenase 1A1 |
12589.3 nM |
Potency |
via CMAUP
|
| CHEMBL1293236 | P46063 | ATP-dependent DNA helicase Q1 |
7079.5 nM |
Potency |
via CMAUP
|
| CHEMBL5990 | P38398 | Breast cancer type 1 susceptibility protein |
39810.7 nM |
Potency |
via CMAUP
|
| CHEMBL340 | P08684 | Cytochrome P450 3A4 |
25118.9 nM 25118.9 nM |
Potency Potency |
via CMAUP
via CMAUP |
| CHEMBL248 | P08246 | Leukocyte elastase |
18000 nM |
IC50 |
PMID: 1578486
|
| CHEMBL1293226 | B2RXH2 | Lysine-specific demethylase 4D-like |
25118.9 nM |
Potency |
via CMAUP
|
| CHEMBL4040 | P28482 | MAP kinase ERK2 |
3162.3 nM |
Potency |
via CMAUP
|
| CHEMBL1293224 | P10636 | Microtubule-associated protein tau |
2238.7 nM 2818.4 nM 3162.3 nM |
Potency Potency Potency |
via CMAUP
via CMAUP via CMAUP |
| CHEMBL1963 | P16473 | Thyroid stimulating hormone receptor |
15848.9 nM 15848.9 nM |
Potency Potency |
via CMAUP
via CMAUP |
| CHEMBL1075138 | Q9NUW8 | Tyrosyl-DNA phosphodiesterase 1 |
19952.6 nM |
Potency |
via CMAUP
|
| CHEMBL1293227 | O75604 | Ubiquitin carboxyl-terminal hydrolase 2 |
25118.9 nM |
Potency |
via CMAUP
|
Predicted Targets (via Super-PRED):
| CHEMBL ID | UniProt ID | Name | Probability | Model accuracy |
|---|---|---|---|---|
| CHEMBL1951 | P21397 | Monoamine oxidase A | 98.99% | 91.49% |
| CHEMBL2581 | P07339 | Cathepsin D | 98.10% | 98.95% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 97.18% | 95.56% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 93.15% | 99.23% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 92.30% | 94.73% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 90.77% | 89.00% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 88.93% | 99.15% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 88.05% | 91.11% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 86.19% | 93.03% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 84.05% | 86.33% |
| CHEMBL2378 | P30307 | Dual specificity phosphatase Cdc25C | 83.84% | 96.67% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 82.48% | 90.00% |
| CHEMBL2535 | P11166 | Glucose transporter | 82.18% | 98.75% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 81.15% | 94.00% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 80.64% | 94.75% |
| CHEMBL5409 | Q8TDU6 | G-protein coupled bile acid receptor 1 | 80.54% | 93.65% |
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.
| PubChem | 10208 |
| NPASS | NPC282923 |
| ChEMBL | CHEMBL41092 |