scutianthraquinone C
| Internal ID | 3dd99231-a8f6-4f47-88f8-7aed2870b238 |
| Taxonomy | Benzenoids > Anthracenes > Anthracenecarboxylic acids and derivatives > Anthracenecarboxylic acids |
| IUPAC Name | methyl 3,8-dihydroxy-1-methyl-9,10-dioxo-7-(2,5,9-trihydroxy-3-methoxycarbonyl-4-methyl-10-oxoanthracen-9-yl)anthracene-2-carboxylate |
| SMILES (Canonical) | CC1=C2C(=CC(=C1C(=O)OC)O)C(=O)C3=C(C2=O)C(=C(C=C3)C4(C5=C(C(=CC=C5)O)C(=O)C6=C(C(=C(C=C64)O)C(=O)OC)C)O)O |
| SMILES (Isomeric) | CC1=C2C(=CC(=C1C(=O)OC)O)C(=O)C3=C(C2=O)C(=C(C=C3)C4(C5=C(C(=CC=C5)O)C(=O)C6=C(C(=C(C=C64)O)C(=O)OC)C)O)O |
| InChI | InChI=1S/C34H24O12/c1-12-22-15(10-20(36)24(12)32(42)45-3)28(38)14-8-9-17(29(39)26(14)30(22)40)34(44)16-6-5-7-19(35)27(16)31(41)23-13(2)25(33(43)46-4)21(37)11-18(23)34/h5-11,35-37,39,44H,1-4H3 |
| InChI Key | JFUFATWECSQGDK-UHFFFAOYSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C34H24O12 |
| Molecular Weight | 624.50 g/mol |
| Exact Mass | 624.12677620 g/mol |
| Topological Polar Surface Area (TPSA) | 205.00 Ų |
| XlogP | 5.90 |
| CHEBI:66455 |
| CHEMBL451608 |
| Q27135016 |
| dimethyl 1,2',5',6,9'-pentahydroxy-4',8-dimethyl-9,10,10'-trioxo-9,9',10,10'-tetrahydro-2,9'-bianthracene-3',7-dicarboxylate |
| 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 | 99.08% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 98.38% | 98.95% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 96.07% | 91.49% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 93.01% | 95.56% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 91.36% | 99.23% |
| CHEMBL2378 | P30307 | Dual specificity phosphatase Cdc25C | 89.92% | 96.67% |
| CHEMBL2535 | P11166 | Glucose transporter | 89.56% | 98.75% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 88.89% | 89.00% |
| CHEMBL4685 | P14902 | Indoleamine 2,3-dioxygenase | 88.89% | 96.38% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 87.91% | 93.03% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 87.63% | 94.00% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 86.99% | 91.07% |
| CHEMBL2095172 | P14867 | GABA-A receptor; alpha-1/beta-2/gamma-2 | 85.74% | 92.67% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 85.18% | 86.33% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 84.81% | 99.15% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 83.53% | 96.00% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 83.23% | 94.73% |
| CHEMBL2056 | P21728 | Dopamine D1 receptor | 83.20% | 91.00% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 82.63% | 95.89% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 82.45% | 90.00% |
| CHEMBL5966 | P55899 | IgG receptor FcRn large subunit p51 | 81.01% | 90.93% |
| CHEMBL2094127 | P06493 | Cyclin-dependent kinase 1/cyclin B | 80.79% | 96.00% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 80.51% | 90.71% |
| CHEMBL5409 | Q8TDU6 | G-protein coupled bile acid receptor 1 | 80.18% | 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.
| Rodgersia sambucifolia |
| Scutia myrtina |
| Vitis vinifera |
| PubChem | 44592159 |
| LOTUS | LTS0212536 |
| wikiData | Q105369278 |