4-[(2R,3R)-3-[3,4-dihydroxy-5-(4-prop-2-enylphenoxy)phenyl]-2,3-dihydroxypropyl]-5-prop-2-enyl-3-(4-prop-2-enylphenoxy)benzene-1,2-diol
| Internal ID | f95fe40e-8581-4068-854a-1bba3245df74 |
| Taxonomy | Phenylpropanoids and polyketides > Linear 1,3-diarylpropanoids > Cinnamylphenols |
| IUPAC Name | 4-[(2R,3R)-3-[3,4-dihydroxy-5-(4-prop-2-enylphenoxy)phenyl]-2,3-dihydroxypropyl]-5-prop-2-enyl-3-(4-prop-2-enylphenoxy)benzene-1,2-diol |
| SMILES (Canonical) | C=CCC1=CC=C(C=C1)OC2=CC(=CC(=C2O)O)C(C(CC3=C(C(=C(C=C3CC=C)O)O)OC4=CC=C(C=C4)CC=C)O)O |
| SMILES (Isomeric) | C=CCC1=CC=C(C=C1)OC2=CC(=CC(=C2O)O)[C@H]([C@@H](CC3=C(C(=C(C=C3CC=C)O)O)OC4=CC=C(C=C4)CC=C)O)O |
| InChI | InChI=1S/C36H36O8/c1-4-7-22-10-14-26(15-11-22)43-32-20-25(19-29(37)34(32)41)33(40)31(39)21-28-24(9-6-3)18-30(38)35(42)36(28)44-27-16-12-23(8-5-2)13-17-27/h4-6,10-20,31,33,37-42H,1-3,7-9,21H2/t31-,33-/m1/s1 |
| InChI Key | SPCJNGDXZKPVQG-ZQWAWDFXSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C36H36O8 |
| Molecular Weight | 596.70 g/mol |
| Exact Mass | 596.24101810 g/mol |
| Topological Polar Surface Area (TPSA) | 140.00 Ų |
| XlogP | 7.30 |
| There are no found synonyms. |
![2D Structure of 4-[(2R,3R)-3-[3,4-dihydroxy-5-(4-prop-2-enylphenoxy)phenyl]-2,3-dihydroxypropyl]-5-prop-2-enyl-3-(4-prop-2-enylphenoxy)benzene-1,2-diol](https://plantaedb.com/storage/docs/compounds/2023/11/1f9836f0-85df-11ee-9974-4dff5f8ee373.jpg "2D Structure of 4-[(2R,3R)-3-[3,4-dihydroxy-5-(4-prop-2-enylphenoxy)phenyl]-2,3-dihydroxypropyl]-5-prop-2-enyl-3-(4-prop-2-enylphenoxy)benzene-1,2-diol")
| 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 | 98.84% | 91.11% |
| CHEMBL240 | Q12809 | HERG | 96.70% | 89.76% |
| CHEMBL335 | P18031 | Protein-tyrosine phosphatase 1B | 95.16% | 95.17% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 94.74% | 99.15% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 94.70% | 99.17% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 94.63% | 90.00% |
| CHEMBL3492 | P49721 | Proteasome Macropain subunit | 91.75% | 90.24% |
| CHEMBL3194 | P02766 | Transthyretin | 91.61% | 90.71% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 91.22% | 91.49% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 90.76% | 95.50% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 90.37% | 96.09% |
| CHEMBL1255126 | O15151 | Protein Mdm4 | 89.90% | 90.20% |
| CHEMBL215 | P09917 | Arachidonate 5-lipoxygenase | 89.23% | 92.68% |
| CHEMBL4361 | Q07820 | Induced myeloid leukemia cell differentiation protein Mcl-1 | 88.36% | 95.52% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 88.08% | 95.56% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 86.20% | 94.00% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 85.61% | 94.45% |
| CHEMBL2581 | P07339 | Cathepsin D | 85.52% | 98.95% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 84.28% | 95.89% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 84.23% | 93.40% |
| CHEMBL3902 | P09211 | Glutathione S-transferase Pi | 84.10% | 93.81% |
| CHEMBL1966 | Q02127 | Dihydroorotate dehydrogenase | 83.19% | 96.09% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 83.06% | 86.33% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 81.75% | 94.73% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 80.62% | 96.95% |
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.
| Magnolia officinalis |
| PubChem | 163012243 |
| LOTUS | LTS0247528 |
| wikiData | Q105257351 |