Preussomerin H
| Internal ID | 3174ccc9-384f-4e73-a976-97d0b6c813a7 |
| Taxonomy | Benzenoids > Tetralins |
| IUPAC Name | (1S,2R,4S,12R)-7-hydroxy-3,11,21,22-tetraoxaheptacyclo[10.9.1.11,6.112,16.02,4.010,24.020,23]tetracosa-6,8,10(24),16(23),17,19-hexaene-5,15-dione |
| SMILES (Canonical) | C1CC23C4=C(C1=O)C=CC=C4OC5(O2)C6C(O6)C(=O)C7=C(C=CC(=C57)O3)O |
| SMILES (Isomeric) | C1C[C@]23C4=C(C1=O)C=CC=C4O[C@@]5(O2)[C@H]6[C@H](O6)C(=O)C7=C(C=CC(=C57)O3)O |
| InChI | InChI=1S/C20H12O7/c21-9-6-7-19-14-8(9)2-1-3-11(14)26-20(27-19)15-12(25-19)5-4-10(22)13(15)16(23)17-18(20)24-17/h1-5,17-18,22H,6-7H2/t17-,18-,19-,20+/m1/s1 |
| InChI Key | GAOSSIYAGPZGKQ-WTGUMLROSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C20H12O7 |
| Molecular Weight | 364.30 g/mol |
| Exact Mass | 364.05830272 g/mol |
| Topological Polar Surface Area (TPSA) | 94.60 Ų |
| XlogP | 1.80 |
| CHEMBL3912343 |
| 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 | 98.69% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 95.34% | 98.95% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 94.79% | 95.56% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 94.39% | 93.40% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 93.35% | 99.23% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 93.05% | 99.15% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 91.70% | 89.00% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 86.67% | 97.09% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 85.19% | 91.49% |
| CHEMBL4530 | P00488 | Coagulation factor XIII | 82.43% | 96.00% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 81.86% | 86.33% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 81.72% | 100.00% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 81.42% | 96.09% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 81.37% | 95.89% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 80.23% | 93.03% |
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 | 10428831 |
| LOTUS | LTS0239005 |
| wikiData | Q77560546 |