4-[3-(4-Hydroxy-2-methoxyphenyl)-1-(4-hydroxyphenyl)propyl]-3-[2-(4-hydroxyphenyl)ethenyl]-5-methoxyphenol
| Internal ID | 52e45f32-2dcd-4e43-9c6d-9e08c1d76cd7 |
| Taxonomy | Phenylpropanoids and polyketides > Diarylheptanoids > Linear diarylheptanoids |
| IUPAC Name | 4-[3-(4-hydroxy-2-methoxyphenyl)-1-(4-hydroxyphenyl)propyl]-3-[2-(4-hydroxyphenyl)ethenyl]-5-methoxyphenol |
| SMILES (Canonical) | COC1=CC(=CC(=C1C(CCC2=C(C=C(C=C2)O)OC)C3=CC=C(C=C3)O)C=CC4=CC=C(C=C4)O)O |
| SMILES (Isomeric) | COC1=CC(=CC(=C1C(CCC2=C(C=C(C=C2)O)OC)C3=CC=C(C=C3)O)C=CC4=CC=C(C=C4)O)O |
| InChI | InChI=1S/C31H30O6/c1-36-29-18-26(34)15-9-22(29)10-16-28(21-7-13-25(33)14-8-21)31-23(17-27(35)19-30(31)37-2)6-3-20-4-11-24(32)12-5-20/h3-9,11-15,17-19,28,32-35H,10,16H2,1-2H3 |
| InChI Key | BADBXHHJFGZPSY-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C31H30O6 |
| Molecular Weight | 498.60 g/mol |
| Exact Mass | 498.20423867 g/mol |
| Topological Polar Surface Area (TPSA) | 99.40 Ų |
| XlogP | 6.90 |
| There are no found synonyms. |
![2D Structure of 4-[3-(4-Hydroxy-2-methoxyphenyl)-1-(4-hydroxyphenyl)propyl]-3-[2-(4-hydroxyphenyl)ethenyl]-5-methoxyphenol](https://plantaedb.com/storage/docs/compounds/2023/11/b510caa0-85d6-11ee-804e-3fe613385ebb.jpg "2D Structure of 4-[3-(4-Hydroxy-2-methoxyphenyl)-1-(4-hydroxyphenyl)propyl]-3-[2-(4-hydroxyphenyl)ethenyl]-5-methoxyphenol")
| 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 | 97.47% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 97.42% | 96.09% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 96.83% | 86.33% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 96.83% | 96.00% |
| CHEMBL242 | Q92731 | Estrogen receptor beta | 95.69% | 98.35% |
| CHEMBL3194 | P02766 | Transthyretin | 93.34% | 90.71% |
| CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 92.96% | 89.62% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 91.76% | 99.17% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 90.32% | 95.56% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 90.00% | 95.89% |
| CHEMBL2581 | P07339 | Cathepsin D | 89.91% | 98.95% |
| CHEMBL2535 | P11166 | Glucose transporter | 86.61% | 98.75% |
| CHEMBL1255126 | O15151 | Protein Mdm4 | 85.49% | 90.20% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 84.96% | 95.50% |
| CHEMBL2288 | Q13526 | Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 | 84.74% | 91.71% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 84.35% | 93.99% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 82.50% | 90.00% |
| CHEMBL5939 | Q9NZ08 | Endoplasmic reticulum aminopeptidase 1 | 81.81% | 100.00% |
| CHEMBL1966 | Q02127 | Dihydroorotate dehydrogenase | 81.00% | 96.09% |
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.
| Dracaena cochinchinensis |
| PubChem | 74080679 |
| LOTUS | LTS0071562 |
| wikiData | Q104922105 |