8,11-dihydroxy-3-(2-hydroxypropan-2-yl)-6a,12b-dimethyl-9-(4-methyl-3-oxohexan-2-yl)-2,3,4a,5,6,12a-hexahydro-1H-pyrano[3,2-a]xanthen-12-one
| Internal ID | 75239f2c-654d-4b36-ae8b-ea69bae822de |
| Taxonomy | Organoheterocyclic compounds > Benzopyrans > 1-benzopyrans > Xanthones |
| IUPAC Name | 8,11-dihydroxy-3-(2-hydroxypropan-2-yl)-6a,12b-dimethyl-9-(4-methyl-3-oxohexan-2-yl)-2,3,4a,5,6,12a-hexahydro-1H-pyrano[3,2-a]xanthen-12-one |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C28H40O7/c1-8-14(2)21(30)15(3)16-13-17(29)20-23(32)25-27(6)11-9-18(26(4,5)33)34-19(27)10-12-28(25,7)35-24(20)22(16)31/h13-15,18-19,25,29,31,33H,8-12H2,1-7H3 |
| InChI Key | NZUVNIFDHVYNAE-UHFFFAOYSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C28H40O7 |
| Molecular Weight | 488.60 g/mol |
| Exact Mass | 488.27740361 g/mol |
| Topological Polar Surface Area (TPSA) | 113.00 Ų |
| XlogP | 4.60 |
| There are no found synonyms. |
![2D Structure of 8,11-dihydroxy-3-(2-hydroxypropan-2-yl)-6a,12b-dimethyl-9-(4-methyl-3-oxohexan-2-yl)-2,3,4a,5,6,12a-hexahydro-1H-pyrano[3,2-a]xanthen-12-one](https://plantaedb.com/storage/docs/compounds/2023/11/3de61780-821c-11ee-b29a-e73d84b775cb.jpg "2D Structure of 8,11-dihydroxy-3-(2-hydroxypropan-2-yl)-6a,12b-dimethyl-9-(4-methyl-3-oxohexan-2-yl)-2,3,4a,5,6,12a-hexahydro-1H-pyrano[3,2-a]xanthen-12-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 | 99.47% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 98.49% | 98.95% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 94.92% | 89.00% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 94.85% | 97.25% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 93.80% | 94.45% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 92.98% | 96.09% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 90.08% | 96.77% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 88.90% | 95.56% |
| CHEMBL3880 | P07900 | Heat shock protein HSP 90-alpha | 88.01% | 96.21% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 87.88% | 92.62% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 86.71% | 97.09% |
| CHEMBL4051 | P13569 | Cystic fibrosis transmembrane conductance regulator | 86.28% | 95.71% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 85.99% | 95.89% |
| CHEMBL236 | P41143 | Delta opioid receptor | 84.18% | 99.35% |
| CHEMBL2553 | Q15418 | Ribosomal protein S6 kinase alpha 1 | 83.30% | 85.11% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 83.08% | 90.71% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 82.86% | 86.33% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 81.91% | 100.00% |
| CHEMBL1977 | P11473 | Vitamin D receptor | 81.31% | 99.43% |
| CHEMBL4581 | P52732 | Kinesin-like protein 1 | 81.22% | 93.18% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 81.05% | 94.73% |
| CHEMBL3351 | Q13085 | Acetyl-CoA carboxylase 1 | 80.68% | 93.04% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 80.40% | 99.23% |
| CHEMBL3922 | P50579 | Methionine aminopeptidase 2 | 80.20% | 97.28% |
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 | 163017508 |
| LOTUS | LTS0047292 |
| wikiData | Q105188463 |