(4S,9S,10S)-10-ethoxy-2-(4-hydroxyphenyl)-8,8-dimethyl-9,10-dihydro-4H-pyrano[2,3-h]chromene-4,5,9-triol
| Internal ID | fa501a1b-a9c9-4889-8ab3-cf4973e957a9 |
| Taxonomy | Phenylpropanoids and polyketides > Flavonoids > Pyranoflavonoids |
| IUPAC Name | (4S,9S,10S)-10-ethoxy-2-(4-hydroxyphenyl)-8,8-dimethyl-9,10-dihydro-4H-pyrano[2,3-h]chromene-4,5,9-triol |
| SMILES (Canonical) | CCOC1C(C(OC2=C1C3=C(C(C=C(O3)C4=CC=C(C=C4)O)O)C(=C2)O)(C)C)O |
| SMILES (Isomeric) | CCO[C@@H]1[C@@H](C(OC2=C1C3=C([C@H](C=C(O3)C4=CC=C(C=C4)O)O)C(=C2)O)(C)C)O |
| InChI | InChI=1S/C22H24O7/c1-4-27-20-18-16(29-22(2,3)21(20)26)10-14(25)17-13(24)9-15(28-19(17)18)11-5-7-12(23)8-6-11/h5-10,13,20-21,23-26H,4H2,1-3H3/t13-,20-,21-/m0/s1 |
| InChI Key | LTHMGLSQXWAUJI-ZEWGMFERSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C22H24O7 |
| Molecular Weight | 400.40 g/mol |
| Exact Mass | 400.15220310 g/mol |
| Topological Polar Surface Area (TPSA) | 109.00 Ų |
| XlogP | 1.90 |
| There are no found synonyms. |
![2D Structure of (4S,9S,10S)-10-ethoxy-2-(4-hydroxyphenyl)-8,8-dimethyl-9,10-dihydro-4H-pyrano[2,3-h]chromene-4,5,9-triol](https://plantaedb.com/storage/docs/compounds/2023/11/a42a5470-83a7-11ee-b8ea-45aaef64df89.jpg "2D Structure of (4S,9S,10S)-10-ethoxy-2-(4-hydroxyphenyl)-8,8-dimethyl-9,10-dihydro-4H-pyrano[2,3-h]chromene-4,5,9-triol")
| 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 | 98.07% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 95.35% | 96.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 95.31% | 98.95% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 90.39% | 94.45% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 90.06% | 94.00% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 89.93% | 92.94% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 89.79% | 86.33% |
| CHEMBL2288 | Q13526 | Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 | 87.14% | 91.71% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 87.08% | 94.73% |
| CHEMBL242 | Q92731 | Estrogen receptor beta | 86.66% | 98.35% |
| CHEMBL4940 | P07195 | L-lactate dehydrogenase B chain | 86.18% | 95.53% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 84.69% | 96.95% |
| CHEMBL1944 | P08473 | Neprilysin | 84.66% | 92.63% |
| CHEMBL2107 | P61073 | C-X-C chemokine receptor type 4 | 84.64% | 93.10% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 84.46% | 89.00% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 84.19% | 99.17% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 81.43% | 97.09% |
| CHEMBL5339 | Q5NUL3 | G-protein coupled receptor 120 | 80.66% | 95.78% |
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 | 163032688 |
| LOTUS | LTS0208788 |
| wikiData | Q105156938 |