(2S,3R,4S,5S)-2-(3,5-dihydroxyphenyl)-9-hydroxy-3,5-bis(4-hydroxyphenyl)-11-[(2R,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxy-6-oxatricyclo[6.3.1.04,12]dodeca-1(11),8(12),9-trien-7-one
| Internal ID | f9e767d3-1b6c-47a1-bb76-84d6cb5e4444 |
| Taxonomy | Phenylpropanoids and polyketides > Stilbenes > Stilbene glycosides |
| IUPAC Name | (2S,3R,4S,5S)-2-(3,5-dihydroxyphenyl)-9-hydroxy-3,5-bis(4-hydroxyphenyl)-11-[(2R,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxy-6-oxatricyclo[6.3.1.04,12]dodeca-1(11),8(12),9-trien-7-one |
| SMILES (Canonical) | C1C(C(C(C(O1)OC2=C3C(C(C4C3=C(C(=C2)O)C(=O)OC4C5=CC=C(C=C5)O)C6=CC=C(C=C6)O)C7=CC(=CC(=C7)O)O)O)O)O |
| SMILES (Isomeric) | C1[C@H]([C@@H]([C@H]([C@H](O1)OC2=C3[C@@H]([C@H]([C@H]4C3=C(C(=C2)O)C(=O)O[C@@H]4C5=CC=C(C=C5)O)C6=CC=C(C=C6)O)C7=CC(=CC(=C7)O)O)O)O)O |
| InChI | InChI=1S/C34H30O12/c35-17-5-1-14(2-6-17)24-25(16-9-19(37)11-20(38)10-16)27-23(45-34-31(42)30(41)22(40)13-44-34)12-21(39)26-28(27)29(24)32(46-33(26)43)15-3-7-18(36)8-4-15/h1-12,22,24-25,29-32,34-42H,13H2/t22-,24-,25-,29+,30+,31-,32-,34-/m1/s1 |
| InChI Key | QZHZIHNILHRPAS-MNOXXJLTSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C34H30O12 |
| Molecular Weight | 630.60 g/mol |
| Exact Mass | 630.17372639 g/mol |
| Topological Polar Surface Area (TPSA) | 207.00 Ų |
| XlogP | 3.00 |
| There are no found synonyms. |
![2D Structure of (2S,3R,4S,5S)-2-(3,5-dihydroxyphenyl)-9-hydroxy-3,5-bis(4-hydroxyphenyl)-11-[(2R,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxy-6-oxatricyclo[6.3.1.04,12]dodeca-1(11),8(12),9-trien-7-one](https://plantaedb.com/storage/docs/compounds/2023/11/039f6080-8532-11ee-8616-5d44aba3613a.jpg "2D Structure of (2S,3R,4S,5S)-2-(3,5-dihydroxyphenyl)-9-hydroxy-3,5-bis(4-hydroxyphenyl)-11-[(2R,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxy-6-oxatricyclo[6.3.1.04,12]dodeca-1(11),8(12),9-trien-7-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 | 99.35% | 91.11% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 94.59% | 91.49% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 92.45% | 97.09% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 92.02% | 89.00% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 92.00% | 95.56% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 90.30% | 95.89% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 88.91% | 96.09% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 86.61% | 99.15% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 85.64% | 94.00% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 85.51% | 99.23% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 84.62% | 94.45% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 83.78% | 90.00% |
| CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 82.55% | 89.62% |
| CHEMBL5339 | Q5NUL3 | G-protein coupled receptor 120 | 82.46% | 95.78% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 82.42% | 94.73% |
| CHEMBL3194 | P02766 | Transthyretin | 82.22% | 90.71% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 81.79% | 90.71% |
| CHEMBL5966 | P55899 | IgG receptor FcRn large subunit p51 | 80.07% | 90.93% |
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.
| There are no matching plants. |
| PubChem | 154497139 |
| LOTUS | LTS0133238 |
| wikiData | Q105232058 |