(9S)-5,9-dihydroxy-2-(4-hydroxyphenyl)-8,8-dimethyl-9H-pyrano[2,3-h]chromene-4,10-dione
| Internal ID | 9b704505-0734-4d04-bece-750827c87196 |
| Taxonomy | Phenylpropanoids and polyketides > Flavonoids > Flavones > 8-prenylated flavones |
| IUPAC Name | (9S)-5,9-dihydroxy-2-(4-hydroxyphenyl)-8,8-dimethyl-9H-pyrano[2,3-h]chromene-4,10-dione |
| SMILES (Canonical) | CC1(C(C(=O)C2=C(O1)C=C(C3=C2OC(=CC3=O)C4=CC=C(C=C4)O)O)O)C |
| SMILES (Isomeric) | CC1([C@@H](C(=O)C2=C(O1)C=C(C3=C2OC(=CC3=O)C4=CC=C(C=C4)O)O)O)C |
| InChI | InChI=1S/C20H16O7/c1-20(2)19(25)17(24)16-14(27-20)8-12(23)15-11(22)7-13(26-18(15)16)9-3-5-10(21)6-4-9/h3-8,19,21,23,25H,1-2H3/t19-/m1/s1 |
| InChI Key | PHNMQYAGHPLDJR-LJQANCHMSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C20H16O7 |
| Molecular Weight | 368.30 g/mol |
| Exact Mass | 368.08960285 g/mol |
| Topological Polar Surface Area (TPSA) | 113.00 Ų |
| XlogP | 2.50 |
| There are no found synonyms. |
![2D Structure of (9S)-5,9-dihydroxy-2-(4-hydroxyphenyl)-8,8-dimethyl-9H-pyrano[2,3-h]chromene-4,10-dione](https://plantaedb.com/storage/docs/compounds/2023/11/9s-59-dihydroxy-2-4-hydroxyphenyl-88-dimethyl-9h-pyrano23-hchromene-410-dione.jpg "2D Structure of (9S)-5,9-dihydroxy-2-(4-hydroxyphenyl)-8,8-dimethyl-9H-pyrano[2,3-h]chromene-4,10-dione")
| 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 | 98.97% | 91.11% |
| CHEMBL242 | Q92731 | Estrogen receptor beta | 97.24% | 98.35% |
| CHEMBL2581 | P07339 | Cathepsin D | 96.87% | 98.95% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 95.89% | 89.00% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 95.86% | 94.45% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 91.79% | 94.00% |
| CHEMBL3038469 | P24941 | CDK2/Cyclin A | 91.68% | 91.38% |
| CHEMBL2553 | Q15418 | Ribosomal protein S6 kinase alpha 1 | 90.95% | 85.11% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 90.27% | 99.15% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 89.80% | 95.56% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 87.44% | 90.71% |
| CHEMBL3194 | P02766 | Transthyretin | 86.33% | 90.71% |
| CHEMBL5284 | Q96RR4 | CaM-kinase kinase beta | 86.21% | 89.23% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 86.16% | 86.33% |
| CHEMBL2288 | Q13526 | Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 | 84.37% | 91.71% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 83.71% | 85.14% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 83.02% | 99.23% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 82.52% | 94.73% |
| CHEMBL3922 | P50579 | Methionine aminopeptidase 2 | 81.92% | 97.28% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 81.32% | 91.49% |
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.
| Citrus trifoliata |
| PubChem | 162925527 |
| LOTUS | LTS0067990 |
| wikiData | Q105209114 |