1,4,6,9,10-pentahydroxy-8a-(4-hydroxy-6-methyl-3-oxo-1H-isobenzofuran-1-yl)-8,9,10,12a-tetrahydroindeno[1,2-a]anthracene-5,13-dione
| Internal ID | 3faa2282-e07d-4eeb-97e7-2cdfc7bfbb33 |
| Taxonomy | Benzenoids > Anthracenes > Anthraquinones |
| IUPAC Name | 1,4,6,9,10-pentahydroxy-8a-(4-hydroxy-6-methyl-3-oxo-1H-2-benzofuran-1-yl)-8,9,10,12a-tetrahydroindeno[1,2-a]anthracene-5,13-dione |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C30H22O10/c1-10-6-12-20(17(34)7-10)29(39)40-28(12)30-9-11-8-18(35)23-24(19(11)13(30)2-3-16(33)27(30)38)26(37)22-15(32)5-4-14(31)21(22)25(23)36/h2-8,13,16,27-28,31-35,38H,9H2,1H3 |
| InChI Key | PPESFXQGSSHUFR-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C30H22O10 |
| Molecular Weight | 542.50 g/mol |
| Exact Mass | 542.12129689 g/mol |
| Topological Polar Surface Area (TPSA) | 182.00 Ų |
| XlogP | 4.00 |
| 1,4,6,9,10-Pentahydroxy-8a-(4-hydroxy-6-methyl-3-oxo-1,3-dihydro-2-benzofuran-1-yl)-8a,9,10,12a-tetrahydro-5H-indeno[1,2-a]anthracene-5,13(8H)-dione |
| 1,4,6,9,10-pentahydroxy-8a-(4-hydroxy-6-methyl-3-oxo-1H-isobenzofuran-1-yl)-8,9,10,12a-tetrahydroindeno[1,2-a]anthracene-5,13-dione |
![2D Structure of 1,4,6,9,10-pentahydroxy-8a-(4-hydroxy-6-methyl-3-oxo-1H-isobenzofuran-1-yl)-8,9,10,12a-tetrahydroindeno[1,2-a]anthracene-5,13-dione](https://plantaedb.com/storage/docs/compounds/2023/11/0d343d40-84e6-11ee-ac49-45b9c1e7a85b.jpg "2D Structure of 1,4,6,9,10-pentahydroxy-8a-(4-hydroxy-6-methyl-3-oxo-1H-isobenzofuran-1-yl)-8,9,10,12a-tetrahydroindeno[1,2-a]anthracene-5,13-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 | 99.59% | 91.11% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 97.62% | 95.56% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 93.92% | 89.00% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 92.84% | 99.23% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 92.28% | 85.14% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 92.16% | 96.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 91.64% | 98.95% |
| CHEMBL3351 | Q13085 | Acetyl-CoA carboxylase 1 | 89.71% | 93.04% |
| CHEMBL2041 | P07949 | Tyrosine-protein kinase receptor RET | 88.55% | 91.79% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 87.05% | 94.45% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 84.91% | 97.09% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 84.69% | 86.33% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 84.37% | 99.15% |
| CHEMBL2964 | P36507 | Dual specificity mitogen-activated protein kinase kinase 2 | 83.26% | 80.00% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 83.16% | 93.03% |
| CHEMBL4530 | P00488 | Coagulation factor XIII | 81.59% | 96.00% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 81.48% | 91.07% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 81.27% | 91.19% |
| CHEMBL4685 | P14902 | Indoleamine 2,3-dioxygenase | 80.90% | 96.38% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 80.57% | 94.73% |
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 | 438356 |
| LOTUS | LTS0100391 |
| wikiData | Q105212854 |