(1R,3S,3aR,8bS)-3a-[3-[(2S,3R,4R,5S,6S)-3,5-dihydroxy-4-methoxy-6-methyloxan-2-yl]oxy-4-methoxyphenyl]-6,8-dimethoxy-3-phenyl-2,3-dihydro-1H-cyclopenta[b][1]benzofuran-1,8b-diol
| Internal ID | b03d31b4-8fa5-4f8f-8b32-e8ed99c4088b |
| Taxonomy | Phenylpropanoids and polyketides > Stilbenes > Stilbene glycosides |
| IUPAC Name | (1R,3S,3aR,8bS)-3a-[3-[(2S,3R,4R,5S,6S)-3,5-dihydroxy-4-methoxy-6-methyloxan-2-yl]oxy-4-methoxyphenyl]-6,8-dimethoxy-3-phenyl-2,3-dihydro-1H-cyclopenta[b][1]benzofuran-1,8b-diol |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C33H38O11/c1-17-28(35)30(41-5)29(36)31(42-17)43-23-13-19(11-12-22(23)39-3)33-21(18-9-7-6-8-10-18)16-26(34)32(33,37)27-24(40-4)14-20(38-2)15-25(27)44-33/h6-15,17,21,26,28-31,34-37H,16H2,1-5H3/t17-,21-,26+,28-,29+,30+,31-,32+,33-/m0/s1 |
| InChI Key | GAPUHCXUFCJMPS-MNUHLIJFSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C33H38O11 |
| Molecular Weight | 610.60 g/mol |
| Exact Mass | 610.24141202 g/mol |
| Topological Polar Surface Area (TPSA) | 146.00 Ų |
| XlogP | 2.00 |
| There are no found synonyms. |
![2D Structure of (1R,3S,3aR,8bS)-3a-[3-[(2S,3R,4R,5S,6S)-3,5-dihydroxy-4-methoxy-6-methyloxan-2-yl]oxy-4-methoxyphenyl]-6,8-dimethoxy-3-phenyl-2,3-dihydro-1H-cyclopenta[b][1]benzofuran-1,8b-diol](https://plantaedb.com/storage/docs/compounds/2023/11/8d6ed310-84d2-11ee-b582-633e673250eb.jpg "2D Structure of (1R,3S,3aR,8bS)-3a-[3-[(2S,3R,4R,5S,6S)-3,5-dihydroxy-4-methoxy-6-methyloxan-2-yl]oxy-4-methoxyphenyl]-6,8-dimethoxy-3-phenyl-2,3-dihydro-1H-cyclopenta[b][1]benzofuran-1,8b-diol")
| 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 | 98.67% | 96.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 97.97% | 91.11% |
| CHEMBL2716 | Q8WUI4 | Histone deacetylase 7 | 95.94% | 89.44% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 95.25% | 86.33% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 93.71% | 95.56% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 93.48% | 97.09% |
| CHEMBL3714130 | P46095 | G-protein coupled receptor 6 | 91.24% | 97.36% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 89.95% | 95.89% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 87.80% | 97.14% |
| CHEMBL2581 | P07339 | Cathepsin D | 87.44% | 98.95% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 86.20% | 93.99% |
| CHEMBL4306 | P22460 | Voltage-gated potassium channel subunit Kv1.5 | 86.19% | 94.03% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 85.86% | 95.50% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 85.62% | 89.00% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 85.56% | 96.00% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 84.97% | 94.00% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 84.77% | 90.00% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 84.46% | 85.14% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 83.90% | 91.07% |
| CHEMBL1163125 | O60885 | Bromodomain-containing protein 4 | 83.20% | 97.31% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 83.07% | 92.94% |
| CHEMBL3475 | P05121 | Plasminogen activator inhibitor-1 | 82.76% | 83.00% |
| CHEMBL2335 | P42785 | Lysosomal Pro-X carboxypeptidase | 80.95% | 100.00% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 80.71% | 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 elliptica |
| Ornithogalum thyrsoides |
| PubChem | 10746296 |
| LOTUS | LTS0061437 |
| wikiData | Q104908828 |