1-[(2S)-5,7-dihydroxy-2-(4-hydroxyphenyl)-3,4-dihydro-2H-chromen-8-yl]-2-(4-hydroxyphenyl)ethane-1,2-dione
| Internal ID | caf786b0-0839-4063-a17c-f2f4b4400672 |
| Taxonomy | Phenylpropanoids and polyketides > Flavonoids > Hydroxyflavonoids > 7-hydroxyflavonoids |
| IUPAC Name | 1-[(2S)-5,7-dihydroxy-2-(4-hydroxyphenyl)-3,4-dihydro-2H-chromen-8-yl]-2-(4-hydroxyphenyl)ethane-1,2-dione |
| SMILES (Canonical) | C1CC2=C(C(=C(C=C2O)O)C(=O)C(=O)C3=CC=C(C=C3)O)OC1C4=CC=C(C=C4)O |
| SMILES (Isomeric) | C1CC2=C(C(=C(C=C2O)O)C(=O)C(=O)C3=CC=C(C=C3)O)O[C@@H]1C4=CC=C(C=C4)O |
| InChI | InChI=1S/C23H18O7/c24-14-5-1-12(2-6-14)19-10-9-16-17(26)11-18(27)20(23(16)30-19)22(29)21(28)13-3-7-15(25)8-4-13/h1-8,11,19,24-27H,9-10H2/t19-/m0/s1 |
| InChI Key | ZHQNPYUTOBOVDN-IBGZPJMESA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C23H18O7 |
| Molecular Weight | 406.40 g/mol |
| Exact Mass | 406.10525291 g/mol |
| Topological Polar Surface Area (TPSA) | 124.00 Ų |
| XlogP | 3.90 |
| There are no found synonyms. |
![2D Structure of 1-[(2S)-5,7-dihydroxy-2-(4-hydroxyphenyl)-3,4-dihydro-2H-chromen-8-yl]-2-(4-hydroxyphenyl)ethane-1,2-dione](https://plantaedb.com/storage/docs/compounds/2023/11/0476a6c0-8553-11ee-afaa-77dbad12320f.jpg "2D Structure of 1-[(2S)-5,7-dihydroxy-2-(4-hydroxyphenyl)-3,4-dihydro-2H-chromen-8-yl]-2-(4-hydroxyphenyl)ethane-1,2-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 | 97.12% | 91.11% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 95.16% | 97.09% |
| CHEMBL3194 | P02766 | Transthyretin | 91.37% | 90.71% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 89.43% | 93.40% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 88.62% | 92.94% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 86.37% | 89.00% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 86.15% | 99.17% |
| CHEMBL242 | Q92731 | Estrogen receptor beta | 85.51% | 98.35% |
| CHEMBL2781 | P19634 | Sodium/hydrogen exchanger 1 | 84.04% | 90.24% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 83.60% | 95.89% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 83.34% | 90.00% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 82.16% | 91.19% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 81.31% | 90.71% |
| CHEMBL2563 | Q9UQL6 | Histone deacetylase 5 | 81.02% | 89.67% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 80.65% | 100.00% |
| CHEMBL5852 | Q96P65 | Pyroglutamylated RFamide peptide receptor | 80.47% | 85.00% |
| 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.
| Daphne odora |
| PubChem | 163049685 |
| LOTUS | LTS0230251 |
| wikiData | Q105375950 |