(4S,9S,10S)-2-(4-hydroxyphenyl)-8,8-dimethyl-9,10-dihydro-4H-pyrano[2,3-h]chromene-4,5,9,10-tetrol
| Internal ID | 07828e96-844d-42a9-9f91-e4b1b3680e11 |
| Taxonomy | Phenylpropanoids and polyketides > Flavonoids > Pyranoflavonoids |
| IUPAC Name | (4S,9S,10S)-2-(4-hydroxyphenyl)-8,8-dimethyl-9,10-dihydro-4H-pyrano[2,3-h]chromene-4,5,9,10-tetrol |
| SMILES (Canonical) | CC1(C(C(C2=C(O1)C=C(C3=C2OC(=CC3O)C4=CC=C(C=C4)O)O)O)O)C |
| SMILES (Isomeric) | CC1([C@H]([C@H](C2=C(O1)C=C(C3=C2OC(=C[C@@H]3O)C4=CC=C(C=C4)O)O)O)O)C |
| InChI | InChI=1S/C20H20O7/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/h3-8,11,17,19,21-25H,1-2H3/t11-,17-,19-/m0/s1 |
| InChI Key | ISGAAPAIOWRAOZ-AHYKXKOGSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C20H20O7 |
| Molecular Weight | 372.40 g/mol |
| Exact Mass | 372.12090297 g/mol |
| Topological Polar Surface Area (TPSA) | 120.00 Ų |
| XlogP | 1.00 |
| There are no found synonyms. |
![2D Structure of (4S,9S,10S)-2-(4-hydroxyphenyl)-8,8-dimethyl-9,10-dihydro-4H-pyrano[2,3-h]chromene-4,5,9,10-tetrol](https://plantaedb.com/storage/docs/compounds/2023/11/4s9s10s-2-4-hydroxyphenyl-88-dimethyl-910-dihydro-4h-pyrano23-hchromene-45910-tetrol.jpg "2D Structure of (4S,9S,10S)-2-(4-hydroxyphenyl)-8,8-dimethyl-9,10-dihydro-4H-pyrano[2,3-h]chromene-4,5,9,10-tetrol")
| 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 | 97.81% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 92.44% | 98.95% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 90.64% | 96.09% |
| CHEMBL2107 | P61073 | C-X-C chemokine receptor type 4 | 88.23% | 93.10% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 87.43% | 89.00% |
| CHEMBL242 | Q92731 | Estrogen receptor beta | 87.40% | 98.35% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 87.36% | 92.94% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 86.18% | 86.33% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 85.18% | 94.00% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 85.12% | 94.45% |
| CHEMBL1944 | P08473 | Neprilysin | 83.96% | 92.63% |
| CHEMBL2288 | Q13526 | Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 | 83.66% | 91.71% |
| CHEMBL5339 | Q5NUL3 | G-protein coupled receptor 120 | 82.65% | 95.78% |
| CHEMBL4940 | P07195 | L-lactate dehydrogenase B chain | 82.12% | 95.53% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 81.76% | 99.15% |
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 | 162995434 |
| LOTUS | LTS0091440 |
| wikiData | Q105119488 |