[(2S,3S,4S,5R,6R)-2-[5-[(1S,3R,3aR,8bS)-1,8b-dihydroxy-6,8-dimethoxy-3-phenyl-2,3-dihydro-1H-cyclopenta[b][1]benzofuran-3a-yl]-2-methoxyphenoxy]-5-hydroxy-4-methoxy-6-methyloxan-3-yl] acetate
| Internal ID | 845b8ef1-e6bd-41c7-9198-3b7293a8f3fd |
| Taxonomy | Phenylpropanoids and polyketides > Stilbenes > Stilbene glycosides |
| IUPAC Name | [(2S,3S,4S,5R,6R)-2-[5-[(1S,3R,3aR,8bS)-1,8b-dihydroxy-6,8-dimethoxy-3-phenyl-2,3-dihydro-1H-cyclopenta[b][1]benzofuran-3a-yl]-2-methoxyphenoxy]-5-hydroxy-4-methoxy-6-methyloxan-3-yl] acetate |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C35H40O12/c1-18-30(38)31(43-6)32(45-19(2)36)33(44-18)46-25-14-21(12-13-24(25)41-4)35-23(20-10-8-7-9-11-20)17-28(37)34(35,39)29-26(42-5)15-22(40-3)16-27(29)47-35/h7-16,18,23,28,30-33,37-39H,17H2,1-6H3/t18-,23-,28+,30-,31+,32+,33+,34-,35+/m1/s1 |
| InChI Key | QKVLYKATVKEUOR-KCOODZIGSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C35H40O12 |
| Molecular Weight | 652.70 g/mol |
| Exact Mass | 652.25197671 g/mol |
| Topological Polar Surface Area (TPSA) | 152.00 Ų |
| XlogP | 2.60 |
| There are no found synonyms. |
![2D Structure of [(2S,3S,4S,5R,6R)-2-[5-[(1S,3R,3aR,8bS)-1,8b-dihydroxy-6,8-dimethoxy-3-phenyl-2,3-dihydro-1H-cyclopenta[b][1]benzofuran-3a-yl]-2-methoxyphenoxy]-5-hydroxy-4-methoxy-6-methyloxan-3-yl] acetate](https://plantaedb.com/storage/docs/compounds/2023/11/e32a9700-8577-11ee-b60b-85c870d80bcd.jpg "2D Structure of [(2S,3S,4S,5R,6R)-2-[5-[(1S,3R,3aR,8bS)-1,8b-dihydroxy-6,8-dimethoxy-3-phenyl-2,3-dihydro-1H-cyclopenta[b][1]benzofuran-3a-yl]-2-methoxyphenoxy]-5-hydroxy-4-methoxy-6-methyloxan-3-yl] acetate")
| 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 |
|---|---|---|---|---|
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 99.26% | 96.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 98.28% | 91.11% |
| CHEMBL2716 | Q8WUI4 | Histone deacetylase 7 | 96.84% | 89.44% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 95.87% | 86.33% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 94.95% | 95.56% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 92.75% | 85.14% |
| CHEMBL2581 | P07339 | Cathepsin D | 92.01% | 98.95% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 90.87% | 89.00% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 90.81% | 91.19% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 89.68% | 95.50% |
| CHEMBL3714130 | P46095 | G-protein coupled receptor 6 | 89.02% | 97.36% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 88.32% | 96.00% |
| CHEMBL1821 | P08173 | Muscarinic acetylcholine receptor M4 | 87.94% | 94.08% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 87.83% | 97.09% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 87.67% | 91.07% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 86.98% | 95.89% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 86.90% | 94.00% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 85.89% | 97.14% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 85.53% | 90.00% |
| CHEMBL5028 | O14672 | ADAM10 | 84.10% | 97.50% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 83.60% | 95.89% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 83.29% | 99.23% |
| CHEMBL3475 | P05121 | Plasminogen activator inhibitor-1 | 82.92% | 83.00% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 81.69% | 96.95% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 80.49% | 90.17% |
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.
| Aglaia laxiflora |
| PubChem | 163001617 |
| LOTUS | LTS0056268 |
| wikiData | Q105223364 |