2-(2-Methoxy-4-prop-1-enylphenoxy)-1-(3,4,5-trimethoxyphenyl)propan-1-ol
| Internal ID | f89504ab-63ca-4125-91f4-a13d636075f9 |
| Taxonomy | Lignans, neolignans and related compounds |
| IUPAC Name | 2-(2-methoxy-4-prop-1-enylphenoxy)-1-(3,4,5-trimethoxyphenyl)propan-1-ol |
| SMILES (Canonical) | CC=CC1=CC(=C(C=C1)OC(C)C(C2=CC(=C(C(=C2)OC)OC)OC)O)OC |
| SMILES (Isomeric) | CC=CC1=CC(=C(C=C1)OC(C)C(C2=CC(=C(C(=C2)OC)OC)OC)O)OC |
| InChI | InChI=1S/C22H28O6/c1-7-8-15-9-10-17(18(11-15)24-3)28-14(2)21(23)16-12-19(25-4)22(27-6)20(13-16)26-5/h7-14,21,23H,1-6H3 |
| InChI Key | LNEPYGTUEWFPKT-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C22H28O6 |
| Molecular Weight | 388.50 g/mol |
| Exact Mass | 388.18858861 g/mol |
| Topological Polar Surface Area (TPSA) | 66.40 Ų |
| XlogP | 4.10 |
| 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 |
|---|---|---|---|---|
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 96.31% | 96.00% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 95.16% | 96.09% |
| CHEMBL4302 | P08183 | P-glycoprotein 1 | 94.05% | 92.98% |
| CHEMBL1255126 | O15151 | Protein Mdm4 | 91.94% | 90.20% |
| CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 89.79% | 89.62% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 88.35% | 94.45% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 88.28% | 86.33% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 88.22% | 90.00% |
| CHEMBL2535 | P11166 | Glucose transporter | 87.79% | 98.75% |
| CHEMBL3492 | P49721 | Proteasome Macropain subunit | 87.51% | 90.24% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 86.41% | 95.56% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 84.78% | 99.17% |
| CHEMBL1907 | P15144 | Aminopeptidase N | 84.50% | 93.31% |
| CHEMBL2581 | P07339 | Cathepsin D | 84.23% | 98.95% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 82.83% | 85.14% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 82.69% | 89.00% |
| CHEMBL2413 | P32246 | C-C chemokine receptor type 1 | 82.18% | 89.50% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 81.59% | 91.11% |
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.
| Daphne feddei |
| Virola surinamensis |
| PubChem | 4486983 |
| LOTUS | LTS0063955 |
| wikiData | Q104171120 |