1,8-dihydroxy-6-methyl-2-[(9S)-1,4,5-trihydroxy-2-methyl-10-oxo-9H-anthracen-9-yl]anthracene-9,10-dione
| Internal ID | 718e7227-877b-46dc-848c-ab1a8b4b3d7c |
| Taxonomy | Benzenoids > Anthracenes > Anthraquinones |
| IUPAC Name | 1,8-dihydroxy-6-methyl-2-[(9S)-1,4,5-trihydroxy-2-methyl-10-oxo-9H-anthracen-9-yl]anthracene-9,10-dione |
| SMILES (Canonical) | CC1=CC2=C(C(=C1)O)C(=O)C3=C(C2=O)C=CC(=C3O)C4C5=C(C(=CC=C5)O)C(=O)C6=C(C=C(C(=C46)O)C)O |
| SMILES (Isomeric) | CC1=CC2=C(C(=C1)O)C(=O)C3=C(C2=O)C=CC(=C3O)[C@@H]4C5=C(C(=CC=C5)O)C(=O)C6=C(C=C(C(=C46)O)C)O |
| InChI | InChI=1S/C30H20O8/c1-11-8-16-22(18(32)9-11)29(37)23-15(27(16)35)7-6-14(28(23)36)20-13-4-3-5-17(31)21(13)30(38)24-19(33)10-12(2)26(34)25(20)24/h3-10,20,31-34,36H,1-2H3/t20-/m0/s1 |
| InChI Key | WABMKKXLXIGLEO-FQEVSTJZSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C30H20O8 |
| Molecular Weight | 508.50 g/mol |
| Exact Mass | 508.11581759 g/mol |
| Topological Polar Surface Area (TPSA) | 152.00 Ų |
| XlogP | 5.80 |
| There are no found synonyms. |
![2D Structure of 1,8-dihydroxy-6-methyl-2-[(9S)-1,4,5-trihydroxy-2-methyl-10-oxo-9H-anthracen-9-yl]anthracene-9,10-dione](https://plantaedb.com/storage/docs/compounds/2023/11/54352a00-86ba-11ee-949f-e59f118658a7.jpg "2D Structure of 1,8-dihydroxy-6-methyl-2-[(9S)-1,4,5-trihydroxy-2-methyl-10-oxo-9H-anthracen-9-yl]anthracene-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 |
|---|---|---|---|---|
| CHEMBL2581 | P07339 | Cathepsin D | 98.53% | 98.95% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 98.40% | 91.49% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 98.09% | 91.11% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 96.98% | 95.56% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 94.26% | 89.00% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 90.87% | 99.23% |
| CHEMBL4685 | P14902 | Indoleamine 2,3-dioxygenase | 90.32% | 96.38% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 90.02% | 99.15% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 89.79% | 93.03% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 88.78% | 90.71% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 87.57% | 94.73% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 85.64% | 96.09% |
| CHEMBL4530 | P00488 | Coagulation factor XIII | 85.05% | 96.00% |
| CHEMBL2056 | P21728 | Dopamine D1 receptor | 84.91% | 91.00% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 84.51% | 95.89% |
| CHEMBL1907 | P15144 | Aminopeptidase N | 82.65% | 93.31% |
| CHEMBL4581 | P52732 | Kinesin-like protein 1 | 82.33% | 93.18% |
| CHEMBL2378 | P30307 | Dual specificity phosphatase Cdc25C | 82.08% | 96.67% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 81.86% | 93.56% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 80.75% | 86.33% |
| CHEMBL2073 | P07947 | Tyrosine-protein kinase YES | 80.22% | 83.14% |
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.
| Bulbine abyssinica |
| PubChem | 162852566 |
| LOTUS | LTS0146451 |
| wikiData | Q105300098 |