5-hydroxy-2-(4-hydroxyphenyl)-7-[(2R,3R,4S,5S,6S)-3,4,5-trihydroxy-6-[(Z)-4-(4-hydroxyphenyl)-2-oxobut-3-enoxy]oxan-2-yl]oxychromen-4-one
| Internal ID | 0d9ab106-d7ea-4bdc-9532-338583652ede |
| Taxonomy | Phenylpropanoids and polyketides > Flavonoids > Flavonoid glycosides > Flavonoid O-glycosides > Flavonoid-7-O-glycosides |
| IUPAC Name | 5-hydroxy-2-(4-hydroxyphenyl)-7-[(2R,3R,4S,5S,6S)-3,4,5-trihydroxy-6-[(Z)-4-(4-hydroxyphenyl)-2-oxobut-3-enoxy]oxan-2-yl]oxychromen-4-one |
| SMILES (Canonical) | C1=CC(=CC=C1C=CC(=O)COC2C(C(C(C(O2)OC3=CC(=C4C(=C3)OC(=CC4=O)C5=CC=C(C=C5)O)O)O)O)O)O |
| SMILES (Isomeric) | C1=CC(=CC=C1/C=C\C(=O)CO[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)OC3=CC(=C4C(=C3)OC(=CC4=O)C5=CC=C(C=C5)O)O)O)O)O)O |
| InChI | InChI=1S/C30H26O12/c31-17-6-1-15(2-7-17)3-8-19(33)14-39-29-27(37)26(36)28(38)30(42-29)40-20-11-21(34)25-22(35)13-23(41-24(25)12-20)16-4-9-18(32)10-5-16/h1-13,26-32,34,36-38H,14H2/b8-3-/t26-,27-,28+,29-,30+/m0/s1 |
| InChI Key | OXNLOFAZIKHOII-NDIBFASTSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C30H26O12 |
| Molecular Weight | 578.50 g/mol |
| Exact Mass | 578.14242626 g/mol |
| Topological Polar Surface Area (TPSA) | 192.00 Ų |
| XlogP | 2.40 |
| There are no found synonyms. |
![2D Structure of 5-hydroxy-2-(4-hydroxyphenyl)-7-[(2R,3R,4S,5S,6S)-3,4,5-trihydroxy-6-[(Z)-4-(4-hydroxyphenyl)-2-oxobut-3-enoxy]oxan-2-yl]oxychromen-4-one](https://plantaedb.com/storage/docs/compounds/2023/11/96670e60-85ba-11ee-8c13-cdb8f3552b81.jpg "2D Structure of 5-hydroxy-2-(4-hydroxyphenyl)-7-[(2R,3R,4S,5S,6S)-3,4,5-trihydroxy-6-[(Z)-4-(4-hydroxyphenyl)-2-oxobut-3-enoxy]oxan-2-yl]oxychromen-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 | 99.34% | 91.11% |
| CHEMBL3194 | P02766 | Transthyretin | 97.75% | 90.71% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 97.70% | 89.00% |
| CHEMBL2288 | Q13526 | Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 | 95.51% | 91.71% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 94.34% | 86.33% |
| CHEMBL2581 | P07339 | Cathepsin D | 93.53% | 98.95% |
| CHEMBL242 | Q92731 | Estrogen receptor beta | 91.57% | 98.35% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 91.28% | 91.49% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 91.28% | 99.15% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 90.32% | 90.71% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 88.99% | 97.09% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 88.70% | 94.45% |
| CHEMBL4016 | P42262 | Glutamate receptor ionotropic, AMPA 2 | 88.63% | 86.92% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 87.86% | 94.73% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 87.01% | 99.17% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 86.75% | 95.56% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 86.20% | 94.00% |
| CHEMBL5339 | Q5NUL3 | G-protein coupled receptor 120 | 85.23% | 95.78% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 84.00% | 95.89% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 83.07% | 85.14% |
| CHEMBL3922 | P50579 | Methionine aminopeptidase 2 | 81.65% | 97.28% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 81.28% | 95.89% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 80.29% | 96.00% |
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.
| Stachys byzantina |
| PubChem | 163105455 |
| LOTUS | LTS0043618 |
| wikiData | Q105202800 |