8,11-dihydroxy-3,3-dimethyl-10-[[(1S,2R)-5,9,10-trihydroxy-2-(2-hydroxypropan-2-yl)-6-oxo-1,2-dihydrofuro[2,3-c]xanthen-1-yl]oxy]pyrano[2,3-c]xanthen-7-one
| Internal ID | e8d90e12-bafc-46a3-b893-281ef2076232 |
| Taxonomy | Organoheterocyclic compounds > Benzopyrans > 1-benzopyrans > Xanthones > Pyranoxanthones |
| IUPAC Name | 8,11-dihydroxy-3,3-dimethyl-10-[[(1S,2R)-5,9,10-trihydroxy-2-(2-hydroxypropan-2-yl)-6-oxo-1,2-dihydrofuro[2,3-c]xanthen-1-yl]oxy]pyrano[2,3-c]xanthen-7-one |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C36H28O13/c1-35(2)10-9-13-19(49-35)8-6-14-25(40)23-18(39)12-21(28(43)32(23)47-29(13)14)45-33-24-20(46-34(33)36(3,4)44)11-17(38)22-26(41)15-5-7-16(37)27(42)30(15)48-31(22)24/h5-12,33-34,37-39,42-44H,1-4H3/t33-,34+/m0/s1 |
| InChI Key | GGDORDIKYIGLIO-SZAHLOSFSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C36H28O13 |
| Molecular Weight | 668.60 g/mol |
| Exact Mass | 668.15299094 g/mol |
| Topological Polar Surface Area (TPSA) | 202.00 Ų |
| XlogP | 5.50 |
| There are no found synonyms. |
![2D Structure of 8,11-dihydroxy-3,3-dimethyl-10-[[(1S,2R)-5,9,10-trihydroxy-2-(2-hydroxypropan-2-yl)-6-oxo-1,2-dihydrofuro[2,3-c]xanthen-1-yl]oxy]pyrano[2,3-c]xanthen-7-one](https://plantaedb.com/storage/docs/compounds/2023/11/dfe16770-86ed-11ee-ae56-95cff97aba07.jpg "2D Structure of 8,11-dihydroxy-3,3-dimethyl-10-[[(1S,2R)-5,9,10-trihydroxy-2-(2-hydroxypropan-2-yl)-6-oxo-1,2-dihydrofuro[2,3-c]xanthen-1-yl]oxy]pyrano[2,3-c]xanthen-7-one")
| 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 | 99.57% | 91.11% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 97.74% | 94.45% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 97.24% | 91.49% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 96.95% | 89.00% |
| CHEMBL2581 | P07339 | Cathepsin D | 93.71% | 98.95% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 93.66% | 94.00% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 92.79% | 95.56% |
| CHEMBL5409 | Q8TDU6 | G-protein coupled bile acid receptor 1 | 90.76% | 93.65% |
| CHEMBL4051 | P13569 | Cystic fibrosis transmembrane conductance regulator | 90.36% | 95.71% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 88.59% | 99.15% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 87.80% | 99.23% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 87.66% | 86.33% |
| CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 86.04% | 89.62% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 85.32% | 95.89% |
| CHEMBL2085 | P14174 | Macrophage migration inhibitory factor | 84.91% | 80.78% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 84.55% | 85.14% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 83.53% | 92.94% |
| CHEMBL3864 | Q06124 | Protein-tyrosine phosphatase 2C | 83.08% | 94.42% |
| CHEMBL5966 | P55899 | IgG receptor FcRn large subunit p51 | 82.76% | 90.93% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 81.28% | 94.73% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 80.98% | 96.77% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 80.45% | 99.17% |
| CHEMBL3194 | P02766 | Transthyretin | 80.32% | 90.71% |
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.
| Hypericum henryi |
| PubChem | 162917650 |
| LOTUS | LTS0192160 |
| wikiData | Q105007975 |