3,3',5',8',10-pentahydroxy-7'-methoxy-7-methylspiro[3,4-dihydropyrano[4,3-g]chromene-2,2'-3H-benzo[][1]benzouran]-4',9,9'-trione
| Internal ID | c74122c7-f0c4-40cd-8a39-baf8ac2b78fc |
| Taxonomy | Organoheterocyclic compounds > Benzopyrans > 1-benzopyrans > Pyranochromenes |
| IUPAC Name | 3,3',5',8',10-pentahydroxy-7'-methoxy-7-methylspiro[3,4-dihydropyrano[4,3-g]chromene-2,2'-3H-benzo[f][1]benzofuran]-4',9,9'-trione |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C25H18O12/c1-7-3-8-4-9-5-12(27)25(36-21(9)19(30)13(8)24(33)35-7)23(32)16-18(29)14-10(26)6-11(34-2)17(28)15(14)20(31)22(16)37-25/h3-4,6,12,23,26-28,30,32H,5H2,1-2H3 |
| InChI Key | FMTLKIJHTZJTFK-UHFFFAOYSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C25H18O12 |
| Molecular Weight | 510.40 g/mol |
| Exact Mass | 510.07982601 g/mol |
| Topological Polar Surface Area (TPSA) | 189.00 Ų |
| XlogP | 2.50 |
| There are no found synonyms. |
![2D Structure of 3,3',5',8',10-pentahydroxy-7'-methoxy-7-methylspiro[3,4-dihydropyrano[4,3-g]chromene-2,2'-3H-benzo[][1]benzouran]-4',9,9'-trione](https://plantaedb.com/storage/docs/compounds/2023/11/94243830-8619-11ee-af56-1f55ae6c2df6.jpg "2D Structure of 3,3',5',8',10-pentahydroxy-7'-methoxy-7-methylspiro[3,4-dihydropyrano[4,3-g]chromene-2,2'-3H-benzo[][1]benzouran]-4',9,9'-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 | 98.68% | 91.11% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 97.74% | 94.00% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 96.24% | 94.45% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 94.32% | 95.56% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 94.01% | 85.14% |
| CHEMBL2581 | P07339 | Cathepsin D | 93.93% | 98.95% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 91.31% | 99.23% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 90.72% | 95.89% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 90.06% | 86.33% |
| CHEMBL230 | P35354 | Cyclooxygenase-2 | 89.85% | 89.63% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 87.78% | 93.99% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 87.47% | 94.73% |
| CHEMBL215 | P09917 | Arachidonate 5-lipoxygenase | 87.30% | 92.68% |
| CHEMBL2094127 | P06493 | Cyclin-dependent kinase 1/cyclin B | 87.23% | 96.00% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 86.75% | 94.75% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 86.70% | 92.94% |
| CHEMBL2378 | P30307 | Dual specificity phosphatase Cdc25C | 86.25% | 96.67% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 85.66% | 90.71% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 85.22% | 93.03% |
| CHEMBL4940 | P07195 | L-lactate dehydrogenase B chain | 82.36% | 95.53% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 82.20% | 91.49% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 82.13% | 97.14% |
| CHEMBL4829 | O00763 | Acetyl-CoA carboxylase 2 | 81.95% | 98.00% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 81.68% | 92.62% |
| CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 81.44% | 97.21% |
| CHEMBL2964 | P36507 | Dual specificity mitogen-activated protein kinase kinase 2 | 81.25% | 80.00% |
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 | 162826190 |
| LOTUS | LTS0118341 |
| wikiData | Q104998034 |