16-Hydroxy-2,12,21-trioxahexacyclo[9.9.1.11,13.13,7.011,23.017,22]tricosa-3,5,7(23),9,13(22),14,16-heptaene-8,18-dione
| Internal ID | 4f586410-19b6-4f39-94e1-13a5f1e382b3 |
| Taxonomy | Benzenoids > Tetralins |
| IUPAC Name | 16-hydroxy-2,12,21-trioxahexacyclo[9.9.1.11,13.13,7.011,23.017,22]tricosa-3,5,7(23),9,13(22),14,16-heptaene-8,18-dione |
| SMILES (Canonical) | C1CC23C4=C(C=CC(=C4C1=O)O)OC5(O2)C=CC(=O)C6=C5C(=CC=C6)O3 |
| SMILES (Isomeric) | C1CC23C4=C(C=CC(=C4C1=O)O)OC5(O2)C=CC(=O)C6=C5C(=CC=C6)O3 |
| InChI | InChI=1S/C20H12O6/c21-11-6-8-19-17-10(11)2-1-3-14(17)24-20(26-19)9-7-13(23)16-12(22)4-5-15(25-19)18(16)20/h1-6,8,22H,7,9H2 |
| InChI Key | NWZQCHXERIECGW-UHFFFAOYSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C20H12O6 |
| Molecular Weight | 348.30 g/mol |
| Exact Mass | 348.06338810 g/mol |
| Topological Polar Surface Area (TPSA) | 82.10 Ų |
| XlogP | 2.50 |
| There are no found synonyms. |
![2D Structure of 16-Hydroxy-2,12,21-trioxahexacyclo[9.9.1.11,13.13,7.011,23.017,22]tricosa-3,5,7(23),9,13(22),14,16-heptaene-8,18-dione](https://plantaedb.com/storage/docs/compounds/2023/11/61641080-8615-11ee-860e-c33352f3e060.jpg "2D Structure of 16-Hydroxy-2,12,21-trioxahexacyclo[9.9.1.11,13.13,7.011,23.017,22]tricosa-3,5,7(23),9,13(22),14,16-heptaene-8,18-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 | 97.95% | 91.11% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 96.62% | 95.56% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 95.96% | 93.40% |
| CHEMBL2581 | P07339 | Cathepsin D | 95.54% | 98.95% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 94.49% | 99.23% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 92.91% | 99.15% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 92.35% | 89.00% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 89.64% | 91.49% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 84.57% | 90.00% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 81.76% | 94.75% |
| CHEMBL2378 | P30307 | Dual specificity phosphatase Cdc25C | 80.82% | 96.67% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 80.64% | 86.33% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 80.16% | 94.00% |
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 | 74333882 |
| LOTUS | LTS0126654 |
| wikiData | Q104180104 |