3-[(2S)-5,7-dihydroxy-2-(4-hydroxyphenyl)-3,4-dihydro-2H-chromen-6-yl]-5,7-dihydroxy-2-(4-hydroxyphenyl)chromen-4-one
| Internal ID | be045488-619f-410c-a18d-edf000ae43c3 |
| Taxonomy | Phenylpropanoids and polyketides > Isoflavonoids > Pyranoisoflavonoids |
| IUPAC Name | 3-[(2S)-5,7-dihydroxy-2-(4-hydroxyphenyl)-3,4-dihydro-2H-chromen-6-yl]-5,7-dihydroxy-2-(4-hydroxyphenyl)chromen-4-one |
| SMILES (Canonical) | C1CC2=C(C=C(C(=C2O)C3=C(OC4=CC(=CC(=C4C3=O)O)O)C5=CC=C(C=C5)O)O)OC1C6=CC=C(C=C6)O |
| SMILES (Isomeric) | C1CC2=C(C=C(C(=C2O)C3=C(OC4=CC(=CC(=C4C3=O)O)O)C5=CC=C(C=C5)O)O)O[C@@H]1C6=CC=C(C=C6)O |
| InChI | InChI=1S/C30H22O9/c31-16-5-1-14(2-6-16)22-10-9-19-23(38-22)13-21(35)26(28(19)36)27-29(37)25-20(34)11-18(33)12-24(25)39-30(27)15-3-7-17(32)8-4-15/h1-8,11-13,22,31-36H,9-10H2/t22-/m0/s1 |
| InChI Key | FCUWDVBZVROKAY-QFIPXVFZSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C30H22O9 |
| Molecular Weight | 526.50 g/mol |
| Exact Mass | 526.12638228 g/mol |
| Topological Polar Surface Area (TPSA) | 157.00 Ų |
| XlogP | 5.10 |
| There are no found synonyms. |
![2D Structure of 3-[(2S)-5,7-dihydroxy-2-(4-hydroxyphenyl)-3,4-dihydro-2H-chromen-6-yl]-5,7-dihydroxy-2-(4-hydroxyphenyl)chromen-4-one](https://plantaedb.com/storage/docs/compounds/2023/11/9d6e35e0-85d6-11ee-b31e-891ac86543bc.jpg "2D Structure of 3-[(2S)-5,7-dihydroxy-2-(4-hydroxyphenyl)-3,4-dihydro-2H-chromen-6-yl]-5,7-dihydroxy-2-(4-hydroxyphenyl)chromen-4-one")
| 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 | 99.37% | 91.11% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 97.09% | 89.00% |
| CHEMBL2345 | P51812 | Ribosomal protein S6 kinase alpha 3 | 96.32% | 95.64% |
| CHEMBL1929 | P47989 | Xanthine dehydrogenase | 96.17% | 96.12% |
| CHEMBL2073 | P07947 | Tyrosine-protein kinase YES | 94.88% | 83.14% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 94.76% | 97.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 94.11% | 98.95% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 92.78% | 94.45% |
| CHEMBL242 | Q92731 | Estrogen receptor beta | 92.43% | 98.35% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 91.30% | 93.40% |
| CHEMBL5339 | Q5NUL3 | G-protein coupled receptor 120 | 91.00% | 95.78% |
| CHEMBL3830 | Q2M2I8 | Adaptor-associated kinase | 90.97% | 83.10% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 90.71% | 93.99% |
| CHEMBL3194 | P02766 | Transthyretin | 90.46% | 90.71% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 89.88% | 99.23% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 89.75% | 94.00% |
| CHEMBL2553 | Q15418 | Ribosomal protein S6 kinase alpha 1 | 89.66% | 85.11% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 88.86% | 95.56% |
| CHEMBL3880 | P07900 | Heat shock protein HSP 90-alpha | 87.74% | 96.21% |
| CHEMBL3438 | Q05513 | Protein kinase C zeta | 87.53% | 88.48% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 86.16% | 99.15% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 85.20% | 100.00% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 85.17% | 90.71% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 84.59% | 91.49% |
| CHEMBL4924 | Q9UK32 | Ribosomal protein S6 kinase alpha 6 | 83.87% | 80.00% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 83.61% | 95.89% |
| CHEMBL4530 | P00488 | Coagulation factor XIII | 82.74% | 96.00% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 82.59% | 86.33% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 82.19% | 95.89% |
| CHEMBL2803 | P43403 | Tyrosine-protein kinase ZAP-70 | 81.60% | 82.50% |
| CHEMBL5408 | Q9UHD2 | Serine/threonine-protein kinase TBK1 | 81.45% | 90.48% |
| CHEMBL1163101 | O75460 | Serine/threonine-protein kinase/endoribonuclease IRE1 | 80.53% | 98.11% |
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 | 163026454 |
| LOTUS | LTS0127506 |
| wikiData | Q104993390 |