8-(2,3-dihydroxy-3-methylbutyl)-1,11-dihydroxy-5-methyl-2-prop-1-en-2-yl-2,3-dihydro-1H-pyrano[3,2-a]xanthen-12-one
| Internal ID | 9fea5416-626b-4bff-a5aa-19a3520ccb8d |
| Taxonomy | Organoheterocyclic compounds > Benzopyrans > 1-benzopyrans > Xanthones > 4-prenylated xanthones |
| IUPAC Name | 8-(2,3-dihydroxy-3-methylbutyl)-1,11-dihydroxy-5-methyl-2-prop-1-en-2-yl-2,3-dihydro-1H-pyrano[3,2-a]xanthen-12-one |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C25H28O7/c1-11(2)14-10-31-23-12(3)8-16-19(20(23)21(14)28)22(29)18-15(26)7-6-13(24(18)32-16)9-17(27)25(4,5)30/h6-8,14,17,21,26-28,30H,1,9-10H2,2-5H3 |
| InChI Key | SLCCOTGLZNLRJS-UHFFFAOYSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C25H28O7 |
| Molecular Weight | 440.50 g/mol |
| Exact Mass | 440.18350323 g/mol |
| Topological Polar Surface Area (TPSA) | 116.00 Ų |
| XlogP | 3.50 |
| There are no found synonyms. |
![2D Structure of 8-(2,3-dihydroxy-3-methylbutyl)-1,11-dihydroxy-5-methyl-2-prop-1-en-2-yl-2,3-dihydro-1H-pyrano[3,2-a]xanthen-12-one](https://plantaedb.com/storage/docs/compounds/2023/11/35e0edb0-85c7-11ee-b406-f71130985422.jpg "2D Structure of 8-(2,3-dihydroxy-3-methylbutyl)-1,11-dihydroxy-5-methyl-2-prop-1-en-2-yl-2,3-dihydro-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 | 99.34% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 98.75% | 98.95% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 98.70% | 83.82% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 96.47% | 89.00% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 95.17% | 94.73% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 91.29% | 95.56% |
| CHEMBL5966 | P55899 | IgG receptor FcRn large subunit p51 | 89.37% | 90.93% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 88.86% | 97.25% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 88.55% | 86.33% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 88.37% | 91.49% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 88.12% | 85.14% |
| CHEMBL218 | P21554 | Cannabinoid CB1 receptor | 88.02% | 96.61% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 86.83% | 90.71% |
| CHEMBL5409 | Q8TDU6 | G-protein coupled bile acid receptor 1 | 86.73% | 93.65% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 86.03% | 99.23% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 85.69% | 96.95% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 85.36% | 94.45% |
| CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 85.28% | 89.62% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 84.55% | 94.00% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 82.84% | 100.00% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 81.38% | 99.15% |
| CHEMBL2335 | P42785 | Lysosomal Pro-X carboxypeptidase | 80.98% | 100.00% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 80.83% | 95.89% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 80.58% | 97.09% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 80.31% | 92.62% |
| CHEMBL2535 | P11166 | Glucose transporter | 80.21% | 98.75% |
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 | 72768016 |
| LOTUS | LTS0057363 |
| wikiData | Q105255194 |