(2S,3R)-2-[4-hydroxy-3-(2-hydroxy-5-prop-2-enylphenyl)phenyl]-3-(hydroxymethyl)-7-(2-hydroxy-5-prop-2-enylphenyl)-2,3-dihydro-1-benzofuran-5-ol
| Internal ID | 28e0c472-d824-43c1-8daa-e8ba53f3d001 |
| Taxonomy | Phenylpropanoids and polyketides > 2-arylbenzofuran flavonoids |
| IUPAC Name | (2S,3R)-2-[4-hydroxy-3-(2-hydroxy-5-prop-2-enylphenyl)phenyl]-3-(hydroxymethyl)-7-(2-hydroxy-5-prop-2-enylphenyl)-2,3-dihydro-1-benzofuran-5-ol |
| SMILES (Canonical) | C=CCC1=CC(=C(C=C1)O)C2=C(C=CC(=C2)C3C(C4=CC(=CC(=C4O3)C5=C(C=CC(=C5)CC=C)O)O)CO)O |
| SMILES (Isomeric) | C=CCC1=CC(=C(C=C1)O)C2=C(C=CC(=C2)[C@@H]3[C@H](C4=CC(=CC(=C4O3)C5=C(C=CC(=C5)CC=C)O)O)CO)O |
| InChI | InChI=1S/C33H30O6/c1-3-5-19-7-10-29(36)23(13-19)25-15-21(9-12-31(25)38)32-28(18-34)27-17-22(35)16-26(33(27)39-32)24-14-20(6-4-2)8-11-30(24)37/h3-4,7-17,28,32,34-38H,1-2,5-6,18H2/t28-,32+/m0/s1 |
| InChI Key | JLQQJIWDVGIGMI-GMCHKSTQSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C33H30O6 |
| Molecular Weight | 522.60 g/mol |
| Exact Mass | 522.20423867 g/mol |
| Topological Polar Surface Area (TPSA) | 110.00 Ų |
| XlogP | 6.50 |
| There are no found synonyms. |
![2D Structure of (2S,3R)-2-[4-hydroxy-3-(2-hydroxy-5-prop-2-enylphenyl)phenyl]-3-(hydroxymethyl)-7-(2-hydroxy-5-prop-2-enylphenyl)-2,3-dihydro-1-benzofuran-5-ol](https://plantaedb.com/storage/docs/compounds/2023/11/f67c74f0-85e2-11ee-83bb-1bd158166dc8.jpg "2D Structure of (2S,3R)-2-[4-hydroxy-3-(2-hydroxy-5-prop-2-enylphenyl)phenyl]-3-(hydroxymethyl)-7-(2-hydroxy-5-prop-2-enylphenyl)-2,3-dihydro-1-benzofuran-5-ol")
| 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 |
|---|---|---|---|---|
| CHEMBL1951 | P21397 | Monoamine oxidase A | 99.00% | 91.49% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 97.31% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 91.81% | 98.95% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 91.34% | 96.09% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 90.03% | 99.17% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 88.11% | 95.56% |
| CHEMBL3194 | P02766 | Transthyretin | 85.40% | 90.71% |
| CHEMBL233 | P35372 | Mu opioid receptor | 84.37% | 97.93% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 84.16% | 97.09% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 82.66% | 99.15% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 82.04% | 94.73% |
| CHEMBL4016 | P42262 | Glutamate receptor ionotropic, AMPA 2 | 81.63% | 86.92% |
| CHEMBL5852 | Q96P65 | Pyroglutamylated RFamide peptide receptor | 81.63% | 85.00% |
| CHEMBL2563 | Q9UQL6 | Histone deacetylase 5 | 81.16% | 89.67% |
| CHEMBL4145 | Q9UKV0 | Histone deacetylase 9 | 81.03% | 85.49% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 80.83% | 95.89% |
| CHEMBL4530 | P00488 | Coagulation factor XIII | 80.78% | 96.00% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 80.24% | 93.40% |
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 | 15714553 |
| LOTUS | LTS0234273 |
| wikiData | Q105131019 |