4-[3-(4-Hydroxy-2-methoxyphenyl)-1-(4-hydroxyphenyl)propyl]-5-[2-(4-hydroxyphenyl)ethenyl]benzene-1,3-diol
| Internal ID | 5f103dfa-9a39-4191-94fc-bed661573bd7 |
| Taxonomy | Phenylpropanoids and polyketides > Diarylheptanoids > Linear diarylheptanoids |
| IUPAC Name | 4-[3-(4-hydroxy-2-methoxyphenyl)-1-(4-hydroxyphenyl)propyl]-5-[2-(4-hydroxyphenyl)ethenyl]benzene-1,3-diol |
| SMILES (Canonical) | COC1=C(C=CC(=C1)O)CCC(C2=CC=C(C=C2)O)C3=C(C=C(C=C3O)O)C=CC4=CC=C(C=C4)O |
| SMILES (Isomeric) | COC1=C(C=CC(=C1)O)CCC(C2=CC=C(C=C2)O)C3=C(C=C(C=C3O)O)C=CC4=CC=C(C=C4)O |
| InChI | InChI=1S/C30H28O6/c1-36-29-18-25(33)14-8-21(29)9-15-27(20-6-12-24(32)13-7-20)30-22(16-26(34)17-28(30)35)5-2-19-3-10-23(31)11-4-19/h2-8,10-14,16-18,27,31-35H,9,15H2,1H3 |
| InChI Key | VJKKCVLVWDXUQG-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C30H28O6 |
| Molecular Weight | 484.50 g/mol |
| Exact Mass | 484.18858861 g/mol |
| Topological Polar Surface Area (TPSA) | 110.00 Ų |
| XlogP | 6.60 |
| There are no found synonyms. |
![2D Structure of 4-[3-(4-Hydroxy-2-methoxyphenyl)-1-(4-hydroxyphenyl)propyl]-5-[2-(4-hydroxyphenyl)ethenyl]benzene-1,3-diol](https://plantaedb.com/storage/docs/compounds/2023/11/a0aff860-865c-11ee-9bce-5d03c917a331.jpg "2D Structure of 4-[3-(4-Hydroxy-2-methoxyphenyl)-1-(4-hydroxyphenyl)propyl]-5-[2-(4-hydroxyphenyl)ethenyl]benzene-1,3-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 | 98.25% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 97.68% | 96.09% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 96.74% | 96.00% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 96.55% | 86.33% |
| CHEMBL3194 | P02766 | Transthyretin | 95.33% | 90.71% |
| CHEMBL242 | Q92731 | Estrogen receptor beta | 93.73% | 98.35% |
| CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 93.51% | 89.62% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 92.94% | 93.99% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 92.37% | 99.17% |
| CHEMBL2581 | P07339 | Cathepsin D | 91.20% | 98.95% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 89.10% | 95.56% |
| CHEMBL2535 | P11166 | Glucose transporter | 88.90% | 98.75% |
| CHEMBL1255126 | O15151 | Protein Mdm4 | 87.98% | 90.20% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 87.43% | 99.15% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 87.38% | 95.89% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 86.90% | 90.00% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 83.81% | 95.50% |
| CHEMBL2288 | Q13526 | Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 | 83.63% | 91.71% |
| CHEMBL5939 | Q9NZ08 | Endoplasmic reticulum aminopeptidase 1 | 82.88% | 100.00% |
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 | 74080755 |
| LOTUS | LTS0072000 |
| wikiData | Q105287321 |