(1R,2S)-1-(3,4-dimethoxyphenyl)-2-(2-methoxy-4-prop-2-enylphenoxy)propane-1,3-diol
| Internal ID | 6aa29765-261f-4749-9d7f-b46e9468489a |
| Taxonomy | Lignans, neolignans and related compounds |
| IUPAC Name | (1R,2S)-1-(3,4-dimethoxyphenyl)-2-(2-methoxy-4-prop-2-enylphenoxy)propane-1,3-diol |
| SMILES (Canonical) | COC1=C(C=C(C=C1)C(C(CO)OC2=C(C=C(C=C2)CC=C)OC)O)OC |
| SMILES (Isomeric) | COC1=C(C=C(C=C1)[C@H]([C@H](CO)OC2=C(C=C(C=C2)CC=C)OC)O)OC |
| InChI | InChI=1S/C21H26O6/c1-5-6-14-7-9-17(18(11-14)25-3)27-20(13-22)21(23)15-8-10-16(24-2)19(12-15)26-4/h5,7-12,20-23H,1,6,13H2,2-4H3/t20-,21+/m0/s1 |
| InChI Key | UDPCQISBSNYWIH-LEWJYISDSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C21H26O6 |
| Molecular Weight | 374.40 g/mol |
| Exact Mass | 374.17293854 g/mol |
| Topological Polar Surface Area (TPSA) | 77.40 Ų |
| XlogP | 3.10 |
| There are no found synonyms. |
| 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 | 98.84% | 96.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 97.31% | 98.95% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 95.13% | 85.14% |
| CHEMBL1255126 | O15151 | Protein Mdm4 | 93.70% | 90.20% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 93.39% | 94.45% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 91.69% | 86.33% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 90.20% | 99.17% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 87.90% | 95.89% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 87.37% | 90.00% |
| CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 86.25% | 89.62% |
| CHEMBL3286 | P00749 | Urokinase-type plasminogen activator | 85.31% | 97.88% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 84.32% | 95.89% |
| CHEMBL3492 | P49721 | Proteasome Macropain subunit | 84.25% | 90.24% |
| CHEMBL2413 | P32246 | C-C chemokine receptor type 1 | 82.73% | 89.50% |
| CHEMBL5555 | O00767 | Acyl-CoA desaturase | 81.68% | 97.50% |
| CHEMBL4016 | P42262 | Glutamate receptor ionotropic, AMPA 2 | 81.04% | 86.92% |
| CHEMBL2535 | P11166 | Glucose transporter | 80.96% | 98.75% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 80.73% | 95.56% |
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.
| Virola surinamensis |
| PubChem | 162906014 |
| LOTUS | LTS0234575 |
| wikiData | Q105270473 |