1-[1,8-dihydroxy-6-methyl-9-oxo-10-(3,4,5-trihydroxyoxan-2-yl)-10H-anthracen-2-yl]-4,5-dihydroxy-2-methylanthracene-9,10-dione
| Internal ID | 0ff9f500-82d0-48b7-8b23-41d6f197b6ff |
| Taxonomy | Benzenoids > Anthracenes > Anthraquinones |
| IUPAC Name | 1-[1,8-dihydroxy-6-methyl-9-oxo-10-(3,4,5-trihydroxyoxan-2-yl)-10H-anthracen-2-yl]-4,5-dihydroxy-2-methylanthracene-9,10-dione |
| SMILES (Canonical) | CC1=CC2=C(C(=C1)O)C(=O)C3=C(C2C4C(C(C(CO4)O)O)O)C=CC(=C3O)C5=C6C(=C(C=C5C)O)C(=O)C7=C(C6=O)C=CC=C7O |
| SMILES (Isomeric) | CC1=CC2=C(C(=C1)O)C(=O)C3=C(C2C4C(C(C(CO4)O)O)O)C=CC(=C3O)C5=C6C(=C(C=C5C)O)C(=O)C7=C(C6=O)C=CC=C7O |
| InChI | InChI=1S/C35H28O11/c1-12-8-17-23(35-34(45)31(42)21(39)11-46-35)14-6-7-16(29(40)26(14)32(43)25(17)19(37)9-12)22-13(2)10-20(38)27-28(22)30(41)15-4-3-5-18(36)24(15)33(27)44/h3-10,21,23,31,34-40,42,45H,11H2,1-2H3 |
| InChI Key | HRQJSMLTAPMJAN-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C35H28O11 |
| Molecular Weight | 624.60 g/mol |
| Exact Mass | 624.16316171 g/mol |
| Topological Polar Surface Area (TPSA) | 202.00 Ų |
| XlogP | 4.00 |
| There are no found synonyms. |
![2D Structure of 1-[1,8-dihydroxy-6-methyl-9-oxo-10-(3,4,5-trihydroxyoxan-2-yl)-10H-anthracen-2-yl]-4,5-dihydroxy-2-methylanthracene-9,10-dione](https://plantaedb.com/storage/docs/compounds/2023/11/72150a20-8663-11ee-92f9-f30b656a6c9a.jpg "2D Structure of 1-[1,8-dihydroxy-6-methyl-9-oxo-10-(3,4,5-trihydroxyoxan-2-yl)-10H-anthracen-2-yl]-4,5-dihydroxy-2-methylanthracene-9,10-dione")
| 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 | 99.21% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 99.20% | 98.95% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 97.98% | 89.00% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 97.55% | 95.56% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 95.94% | 91.49% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 94.96% | 99.23% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 94.09% | 99.15% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 91.13% | 94.73% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 90.15% | 90.71% |
| CHEMBL4685 | P14902 | Indoleamine 2,3-dioxygenase | 87.61% | 96.38% |
| CHEMBL2094127 | P06493 | Cyclin-dependent kinase 1/cyclin B | 87.05% | 96.00% |
| CHEMBL2535 | P11166 | Glucose transporter | 86.64% | 98.75% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 85.79% | 93.03% |
| CHEMBL2073 | P07947 | Tyrosine-protein kinase YES | 85.61% | 83.14% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 84.75% | 100.00% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 84.37% | 94.00% |
| CHEMBL2378 | P30307 | Dual specificity phosphatase Cdc25C | 83.34% | 96.67% |
| CHEMBL5145 | P15056 | Serine/threonine-protein kinase B-raf | 82.03% | 97.90% |
| CHEMBL301 | P24941 | Cyclin-dependent kinase 2 | 81.64% | 91.23% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 81.50% | 92.94% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 80.09% | 95.89% |
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.
| Asphodelus ramosus |
| PubChem | 73825288 |
| LOTUS | LTS0031421 |
| wikiData | Q105032776 |