5,7-dihydroxy-2-(4-hydroxyphenyl)-6-[(1S)-1-(4-hydroxyphenyl)ethyl]-8-[(2S,3R,4R,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]chromen-4-one
| Internal ID | 77611a01-372b-438e-bccb-c5ae8a1b673c |
| Taxonomy | Phenylpropanoids and polyketides > Flavonoids > Flavonoid glycosides > Flavonoid C-glycosides > Flavonoid 8-C-glycosides |
| IUPAC Name | 5,7-dihydroxy-2-(4-hydroxyphenyl)-6-[(1S)-1-(4-hydroxyphenyl)ethyl]-8-[(2S,3R,4R,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]chromen-4-one |
| SMILES (Canonical) | CC(C1=CC=C(C=C1)O)C2=C(C(=C3C(=C2O)C(=O)C=C(O3)C4=CC=C(C=C4)O)C5C(C(C(C(O5)CO)O)O)O)O |
| SMILES (Isomeric) | C[C@@H](C1=CC=C(C=C1)O)C2=C(C(=C3C(=C2O)C(=O)C=C(O3)C4=CC=C(C=C4)O)[C@H]5[C@@H]([C@H]([C@H]([C@H](O5)CO)O)O)O)O |
| InChI | InChI=1S/C29H28O11/c1-12(13-2-6-15(31)7-3-13)20-24(35)21-17(33)10-18(14-4-8-16(32)9-5-14)39-28(21)22(25(20)36)29-27(38)26(37)23(34)19(11-30)40-29/h2-10,12,19,23,26-27,29-32,34-38H,11H2,1H3/t12-,19+,23-,26-,27+,29-/m0/s1 |
| InChI Key | VAVVYQGVFZBLHB-QVEOQNIASA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C29H28O11 |
| Molecular Weight | 552.50 g/mol |
| Exact Mass | 552.16316171 g/mol |
| Topological Polar Surface Area (TPSA) | 197.00 Ų |
| XlogP | 2.10 |
| There are no found synonyms. |
![2D Structure of 5,7-dihydroxy-2-(4-hydroxyphenyl)-6-[(1S)-1-(4-hydroxyphenyl)ethyl]-8-[(2S,3R,4R,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]chromen-4-one](https://plantaedb.com/storage/docs/compounds/2023/11/520ee900-83cd-11ee-9805-4f4c053b8737.jpg "2D Structure of 5,7-dihydroxy-2-(4-hydroxyphenyl)-6-[(1S)-1-(4-hydroxyphenyl)ethyl]-8-[(2S,3R,4R,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]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 | 99.24% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 99.18% | 98.95% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 94.28% | 89.00% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 92.37% | 94.73% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 91.77% | 85.14% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 91.60% | 90.71% |
| CHEMBL5284 | Q96RR4 | CaM-kinase kinase beta | 91.09% | 89.23% |
| CHEMBL242 | Q92731 | Estrogen receptor beta | 90.92% | 98.35% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 90.89% | 99.15% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 90.31% | 94.45% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 89.72% | 94.00% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 89.20% | 95.56% |
| CHEMBL2107 | P61073 | C-X-C chemokine receptor type 4 | 88.54% | 93.10% |
| CHEMBL2553 | Q15418 | Ribosomal protein S6 kinase alpha 1 | 88.47% | 85.11% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 87.24% | 86.33% |
| CHEMBL3880 | P07900 | Heat shock protein HSP 90-alpha | 86.53% | 96.21% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 86.28% | 83.82% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 83.95% | 99.17% |
| CHEMBL3830 | Q2M2I8 | Adaptor-associated kinase | 83.79% | 83.10% |
| CHEMBL4016 | P42262 | Glutamate receptor ionotropic, AMPA 2 | 83.75% | 86.92% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 83.50% | 95.89% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 82.16% | 97.09% |
| CHEMBL3038469 | P24941 | CDK2/Cyclin A | 82.01% | 91.38% |
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.
| Cucumis sativus |
| PubChem | 162950401 |
| LOTUS | LTS0188330 |
| wikiData | Q105283020 |