(1R,12R)-5,7,11,19-tetraoxapentacyclo[10.8.0.02,10.04,8.013,18]icosa-2,4(8),9,13(18),14,16-hexaene-16,17-diol
| Internal ID | 3cadf204-aef1-4e8f-a644-93224b0da3ba |
| Taxonomy | Phenylpropanoids and polyketides > Isoflavonoids > Furanoisoflavonoids > Pterocarpans |
| IUPAC Name | (1R,12R)-5,7,11,19-tetraoxapentacyclo[10.8.0.02,10.04,8.013,18]icosa-2,4(8),9,13(18),14,16-hexaene-16,17-diol |
| SMILES (Canonical) | C1C2C(C3=C(O1)C(=C(C=C3)O)O)OC4=CC5=C(C=C24)OCO5 |
| SMILES (Isomeric) | C1[C@@H]2[C@H](C3=C(O1)C(=C(C=C3)O)O)OC4=CC5=C(C=C24)OCO5 |
| InChI | InChI=1S/C16H12O6/c17-10-2-1-7-15-9(5-19-16(7)14(10)18)8-3-12-13(21-6-20-12)4-11(8)22-15/h1-4,9,15,17-18H,5-6H2/t9-,15-/m0/s1 |
| InChI Key | GGIPOZCJJKKBBV-VFZGTOFNSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C16H12O6 |
| Molecular Weight | 300.26 g/mol |
| Exact Mass | 300.06338810 g/mol |
| Topological Polar Surface Area (TPSA) | 77.40 Ų |
| XlogP | 2.10 |
| There are no found synonyms. |
![2D Structure of (1R,12R)-5,7,11,19-tetraoxapentacyclo[10.8.0.02,10.04,8.013,18]icosa-2,4(8),9,13(18),14,16-hexaene-16,17-diol](https://plantaedb.com/storage/docs/compounds/2023/11/48f52de0-87bf-11ee-81a3-2de982330177.jpg "2D Structure of (1R,12R)-5,7,11,19-tetraoxapentacyclo[10.8.0.02,10.04,8.013,18]icosa-2,4(8),9,13(18),14,16-hexaene-16,17-diol")
| 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 | 99.30% | 91.11% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 91.52% | 99.15% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 90.48% | 91.49% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 88.74% | 94.45% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 88.69% | 97.09% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 87.99% | 89.00% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 87.03% | 93.40% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 86.87% | 95.56% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 84.13% | 92.62% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 83.23% | 86.33% |
| CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 82.68% | 89.62% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 82.35% | 100.00% |
| CHEMBL2581 | P07339 | Cathepsin D | 81.25% | 98.95% |
| CHEMBL3227 | P41594 | Metabotropic glutamate receptor 5 | 81.10% | 96.42% |
| CHEMBL4225 | P49760 | Dual specificity protein kinase CLK2 | 80.00% | 80.96% |
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.
| Psorothamnus arborescens |
| Sophora stenophylla |
| PubChem | 11472095 |
| LOTUS | LTS0245296 |
| wikiData | Q105008133 |