[(2R,3R,4S)-4-(4-acetyloxy-3-methoxyphenyl)-3-(acetyloxymethyl)-6,7-dimethoxy-1,2,3,4-tetrahydronaphthalen-2-yl]methyl acetate
| Internal ID | 37873862-a594-4d71-ab31-3dff7736ecf8 |
| Taxonomy | Lignans, neolignans and related compounds > Aryltetralin lignans |
| IUPAC Name | [(2R,3R,4S)-4-(4-acetyloxy-3-methoxyphenyl)-3-(acetyloxymethyl)-6,7-dimethoxy-1,2,3,4-tetrahydronaphthalen-2-yl]methyl acetate |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C27H32O9/c1-15(28)34-13-20-9-19-11-25(32-5)26(33-6)12-21(19)27(22(20)14-35-16(2)29)18-7-8-23(36-17(3)30)24(10-18)31-4/h7-8,10-12,20,22,27H,9,13-14H2,1-6H3/t20-,22-,27-/m0/s1 |
| InChI Key | KMNIDUTWKKDKSD-CLHVYKLBSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C27H32O9 |
| Molecular Weight | 500.50 g/mol |
| Exact Mass | 500.20463259 g/mol |
| Topological Polar Surface Area (TPSA) | 107.00 Ų |
| XlogP | 3.60 |
| There are no found synonyms. |
![2D Structure of [(2R,3R,4S)-4-(4-acetyloxy-3-methoxyphenyl)-3-(acetyloxymethyl)-6,7-dimethoxy-1,2,3,4-tetrahydronaphthalen-2-yl]methyl acetate](https://plantaedb.com/storage/docs/compounds/2023/11/17d564e0-8649-11ee-a99a-539a74eaecdf.jpg "2D Structure of [(2R,3R,4S)-4-(4-acetyloxy-3-methoxyphenyl)-3-(acetyloxymethyl)-6,7-dimethoxy-1,2,3,4-tetrahydronaphthalen-2-yl]methyl 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 | 99.32% | 96.09% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 98.86% | 85.14% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 94.15% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 93.93% | 98.95% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 92.81% | 97.09% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 92.28% | 94.45% |
| CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 90.90% | 97.21% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 88.46% | 99.17% |
| CHEMBL2535 | P11166 | Glucose transporter | 88.38% | 98.75% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 86.97% | 96.95% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 86.19% | 92.94% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 85.93% | 97.25% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 84.95% | 86.33% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 84.31% | 95.89% |
| CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 83.50% | 89.62% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 83.43% | 95.89% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 83.23% | 89.00% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 81.96% | 90.00% |
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.
| Araucaria angustifolia |
| PubChem | 21722952 |
| LOTUS | LTS0198672 |
| wikiData | Q105143051 |