(8'S,12R)-4,8'-dihydroxyspiro[2,10-dioxatricyclo[12.2.2.13,7]nonadeca-1(16),3,5,7(19),14,17-hexaene-12,3'-4,7-dioxatricyclo[7.3.0.02,6]dodeca-1(9),2(6)-diene]-5',10',11-trione
| Internal ID | 0f0256f8-635c-403c-a3fd-46e3ce113e0f |
| Taxonomy | Phenylpropanoids and polyketides > Macrolides and analogues |
| IUPAC Name | (8'S,12R)-4,8'-dihydroxyspiro[2,10-dioxatricyclo[12.2.2.13,7]nonadeca-1(16),3,5,7(19),14,17-hexaene-12,3'-4,7-dioxatricyclo[7.3.0.02,6]dodeca-1(9),2(6)-diene]-5',10',11-trione |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C26H20O9/c27-17-7-3-13-9-10-32-25(31)26(12-14-1-4-15(5-2-14)33-19(17)11-13)21-16-6-8-18(28)20(16)23(29)34-22(21)24(30)35-26/h1-5,7,11,23,27,29H,6,8-10,12H2/t23-,26+/m0/s1 |
| InChI Key | YQMDXACDZZDJBU-JYFHCDHNSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C26H20O9 |
| Molecular Weight | 476.40 g/mol |
| Exact Mass | 476.11073221 g/mol |
| Topological Polar Surface Area (TPSA) | 129.00 Ų |
| XlogP | 1.90 |
| There are no found synonyms. |
![2D Structure of (8'S,12R)-4,8'-dihydroxyspiro[2,10-dioxatricyclo[12.2.2.13,7]nonadeca-1(16),3,5,7(19),14,17-hexaene-12,3'-4,7-dioxatricyclo[7.3.0.02,6]dodeca-1(9),2(6)-diene]-5',10',11-trione](https://plantaedb.com/storage/docs/compounds/2023/11/894471a0-8647-11ee-96d1-79597eaa4ad8.jpg "2D Structure of (8'S,12R)-4,8'-dihydroxyspiro[2,10-dioxatricyclo[12.2.2.13,7]nonadeca-1(16),3,5,7(19),14,17-hexaene-12,3'-4,7-dioxatricyclo[7.3.0.02,6]dodeca-1(9),2(6)-diene]-5',10',11-trione")
| 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 | 99.02% | 91.11% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 97.62% | 93.40% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 96.28% | 99.15% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 95.36% | 95.56% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 94.87% | 94.45% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 91.96% | 94.75% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 88.11% | 99.23% |
| CHEMBL2581 | P07339 | Cathepsin D | 86.17% | 98.95% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 85.88% | 85.14% |
| CHEMBL279 | P35968 | Vascular endothelial growth factor receptor 2 | 85.76% | 95.52% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 84.85% | 89.00% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 82.13% | 94.00% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 81.58% | 90.00% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 81.19% | 100.00% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 81.13% | 93.99% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 80.95% | 95.89% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 80.35% | 96.09% |
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 | 162920977 |
| LOTUS | LTS0081483 |
| wikiData | Q105352278 |