4-Methoxy-5-(3-phenylprop-2-enyl)benzene-1,2-diol
| Internal ID | 279f6307-49e2-4fa0-a997-be339c1f04ca |
| Taxonomy | Phenylpropanoids and polyketides > Linear 1,3-diarylpropanoids > Cinnamylphenols |
| IUPAC Name | 4-methoxy-5-(3-phenylprop-2-enyl)benzene-1,2-diol |
| SMILES (Canonical) | COC1=CC(=C(C=C1CC=CC2=CC=CC=C2)O)O |
| SMILES (Isomeric) | COC1=CC(=C(C=C1CC=CC2=CC=CC=C2)O)O |
| InChI | InChI=1S/C16H16O3/c1-19-16-11-15(18)14(17)10-13(16)9-5-8-12-6-3-2-4-7-12/h2-8,10-11,17-18H,9H2,1H3 |
| InChI Key | BYBYXHQLGYTXAK-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C16H16O3 |
| Molecular Weight | 256.30 g/mol |
| Exact Mass | 256.109944368 g/mol |
| Topological Polar Surface Area (TPSA) | 49.70 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 | 98.70% | 91.11% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 96.53% | 86.33% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 94.49% | 93.99% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 94.07% | 96.00% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 93.96% | 95.56% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 92.02% | 96.09% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 89.64% | 99.17% |
| CHEMBL2288 | Q13526 | Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 | 87.97% | 91.71% |
| CHEMBL2581 | P07339 | Cathepsin D | 87.62% | 98.95% |
| CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 86.75% | 89.62% |
| CHEMBL3492 | P49721 | Proteasome Macropain subunit | 85.53% | 90.24% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 85.48% | 90.00% |
| CHEMBL2535 | P11166 | Glucose transporter | 84.52% | 98.75% |
| CHEMBL3194 | P02766 | Transthyretin | 83.43% | 90.71% |
| CHEMBL1255126 | O15151 | Protein Mdm4 | 83.13% | 90.20% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 82.44% | 95.50% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 80.91% | 94.73% |
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.
| Dalbergia retusa |
| PubChem | 163033042 |
| LOTUS | LTS0133036 |
| wikiData | Q104949131 |