cis-Emodin bianthrone
| Internal ID | 0d948ee6-f6d7-4081-ab5b-8d170fcd141a |
| Taxonomy | Benzenoids > Anthracenes |
| IUPAC Name | (10R)-1,3,8-trihydroxy-6-methyl-10-[(9S)-2,4,5-trihydroxy-7-methyl-10-oxo-9H-anthracen-9-yl]-10H-anthracen-9-one |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C30H22O8/c1-11-3-15-23(17-7-13(31)9-21(35)27(17)29(37)25(15)19(33)5-11)24-16-4-12(2)6-20(34)26(16)30(38)28-18(24)8-14(32)10-22(28)36/h3-10,23-24,31-36H,1-2H3/t23-,24+ |
| InChI Key | UUXPVUHOWQPCSC-PSWAGMNNSA-N |
| Popularity | 5 references in papers |
| Molecular Formula | C30H22O8 |
| Molecular Weight | 510.50 g/mol |
| Exact Mass | 510.13146766 g/mol |
| Topological Polar Surface Area (TPSA) | 156.00 Ų |
| XlogP | 5.80 |
| rel-(9R,9'S)-2,2',4,4',5,5'-Hexahydroxy-7,7'-dimethyl-[9,9'-bianthracene]-10,10'(9H,9'H)-dione |
| meso-Emodin bianthrone |
| CHEMBL518257 |
| HY-N12256 |
| CS-0896733 |
| (10S)-1,3,8-trihydroxy-6-methyl-10-[(9R)-2,4,5-trihydroxy-7-methyl-10-oxo-9H-anthracen-9-yl]-10H-anthracen-9-one |
| 61281-19-4 |
| 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 |
|---|---|---|---|---|
| CHEMBL2581 | P07339 | Cathepsin D | 94.23% | 98.95% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 94.23% | 91.11% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 94.01% | 95.56% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 90.21% | 89.00% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 88.17% | 99.23% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 86.45% | 93.40% |
| CHEMBL1929 | P47989 | Xanthine dehydrogenase | 85.21% | 96.12% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 85.00% | 99.15% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 83.71% | 94.73% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 81.85% | 90.71% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 80.86% | 90.00% |
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 | 12096289 |
| LOTUS | LTS0217505 |
| wikiData | Q105279647 |