2,4-Dimethoxy-5-(3-phenylprop-2-enyl)benzene-1,3-diol
| Internal ID | c54f1536-79bb-4c90-9f6d-ab8d70f79725 |
| Taxonomy | Phenylpropanoids and polyketides > Linear 1,3-diarylpropanoids > Cinnamylphenols |
| IUPAC Name | 2,4-dimethoxy-5-(3-phenylprop-2-enyl)benzene-1,3-diol |
| SMILES (Canonical) | COC1=C(C(=C(C=C1CC=CC2=CC=CC=C2)O)OC)O |
| SMILES (Isomeric) | COC1=C(C(=C(C=C1CC=CC2=CC=CC=C2)O)OC)O |
| InChI | InChI=1S/C17H18O4/c1-20-16-13(11-14(18)17(21-2)15(16)19)10-6-9-12-7-4-3-5-8-12/h3-9,11,18-19H,10H2,1-2H3 |
| InChI Key | UNXRJDKKDAMIOH-UHFFFAOYSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C17H18O4 |
| Molecular Weight | 286.32 g/mol |
| Exact Mass | 286.12050905 g/mol |
| Topological Polar Surface Area (TPSA) | 58.90 Ų |
| XlogP | 3.70 |
| 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 |
|---|---|---|---|---|
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 99.40% | 91.11% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 96.11% | 86.33% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 95.14% | 93.99% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 94.15% | 96.00% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 91.10% | 96.09% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 89.92% | 95.56% |
| CHEMBL2035 | P08912 | Muscarinic acetylcholine receptor M5 | 89.57% | 94.62% |
| CHEMBL2288 | Q13526 | Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 | 89.31% | 91.71% |
| CHEMBL2581 | P07339 | Cathepsin D | 87.87% | 98.95% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 87.55% | 99.17% |
| CHEMBL1821 | P08173 | Muscarinic acetylcholine receptor M4 | 87.41% | 94.08% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 85.57% | 94.73% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 83.62% | 99.15% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 83.43% | 90.00% |
| CHEMBL216 | P11229 | Muscarinic acetylcholine receptor M1 | 81.29% | 94.23% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 80.61% | 95.50% |
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.
| Machaerium aristulatum |
| PubChem | 85801005 |
| LOTUS | LTS0208768 |
| wikiData | Q105276212 |