5-[(2S,3S,4R,5R,6R)-4,5-dihydroxy-6-methyl-3-[(2S,3S,4S,5S)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-7-methoxy-2-(3,4,5-trimethoxyphenyl)chromen-4-one
| Internal ID | ce57b76d-efb5-4474-8c58-fdf2966905ce |
| Taxonomy | Phenylpropanoids and polyketides > Flavonoids > Flavonoid glycosides > Flavonoid O-glycosides |
| IUPAC Name | 5-[(2S,3S,4R,5R,6R)-4,5-dihydroxy-6-methyl-3-[(2S,3S,4S,5S)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-7-methoxy-2-(3,4,5-trimethoxyphenyl)chromen-4-one |
| SMILES (Canonical) | CC1C(C(C(C(O1)OC2=CC(=CC3=C2C(=O)C=C(O3)C4=CC(=C(C(=C4)OC)OC)OC)OC)OC5C(C(C(CO5)O)O)O)O)O |
| SMILES (Isomeric) | C[C@@H]1[C@@H]([C@H]([C@@H]([C@@H](O1)OC2=CC(=CC3=C2C(=O)C=C(O3)C4=CC(=C(C(=C4)OC)OC)OC)OC)O[C@H]5[C@H]([C@H]([C@H](CO5)O)O)O)O)O |
| InChI | InChI=1S/C30H36O15/c1-12-23(33)25(35)28(45-29-26(36)24(34)16(32)11-41-29)30(42-12)44-19-9-14(37-2)8-18-22(19)15(31)10-17(43-18)13-6-20(38-3)27(40-5)21(7-13)39-4/h6-10,12,16,23-26,28-30,32-36H,11H2,1-5H3/t12-,16+,23+,24+,25-,26+,28+,29+,30+/m1/s1 |
| InChI Key | ZLGRXQBYEFFILJ-DIEOAXLBSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C30H36O15 |
| Molecular Weight | 636.60 g/mol |
| Exact Mass | 636.20542044 g/mol |
| Topological Polar Surface Area (TPSA) | 201.00 Ų |
| XlogP | -0.10 |
| There are no found synonyms. |
![2D Structure of 5-[(2S,3S,4R,5R,6R)-4,5-dihydroxy-6-methyl-3-[(2S,3S,4S,5S)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-7-methoxy-2-(3,4,5-trimethoxyphenyl)chromen-4-one](https://plantaedb.com/storage/docs/compounds/2023/11/fc9381b0-85fa-11ee-86d3-f3a138794bad.jpg "2D Structure of 5-[(2S,3S,4R,5R,6R)-4,5-dihydroxy-6-methyl-3-[(2S,3S,4S,5S)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-7-methoxy-2-(3,4,5-trimethoxyphenyl)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 | 98.63% | 91.11% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 97.22% | 85.14% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 96.95% | 89.00% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 96.65% | 94.00% |
| CHEMBL3714130 | P46095 | G-protein coupled receptor 6 | 94.61% | 97.36% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 94.47% | 96.77% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 92.85% | 95.56% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 91.07% | 86.33% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 89.05% | 96.09% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 85.58% | 90.71% |
| CHEMBL2581 | P07339 | Cathepsin D | 84.56% | 98.95% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 84.09% | 90.00% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 82.03% | 97.14% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 81.75% | 97.09% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 81.30% | 92.62% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 80.79% | 95.89% |
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.
| Bauhinia variegata |
| PubChem | 162912529 |
| LOTUS | LTS0186231 |
| wikiData | Q105378887 |