4-[3-[4-Hydroxy-5-(3-methylbut-2-enoxy)-2,3-bis(3-methylbut-2-enyl)phenyl]propyl]-6-(2-methylbut-3-en-2-yl)benzene-1,3-diol
| Internal ID | 888eee8b-a31e-4d7e-a256-0f46ddb61493 |
| Taxonomy | Phenylpropanoids and polyketides > Linear 1,3-diarylpropanoids > Cinnamylphenols |
| IUPAC Name | 4-[3-[4-hydroxy-5-(3-methylbut-2-enoxy)-2,3-bis(3-methylbut-2-enyl)phenyl]propyl]-6-(2-methylbut-3-en-2-yl)benzene-1,3-diol |
| SMILES (Canonical) | CC(=CCC1=C(C(=C(C=C1CCCC2=CC(=C(C=C2O)O)C(C)(C)C=C)OCC=C(C)C)O)CC=C(C)C)C |
| SMILES (Isomeric) | CC(=CCC1=C(C(=C(C=C1CCCC2=CC(=C(C=C2O)O)C(C)(C)C=C)OCC=C(C)C)O)CC=C(C)C)C |
| InChI | InChI=1S/C35H48O4/c1-10-35(8,9)30-20-27(31(36)22-32(30)37)13-11-12-26-21-33(39-19-18-25(6)7)34(38)29(17-15-24(4)5)28(26)16-14-23(2)3/h10,14-15,18,20-22,36-38H,1,11-13,16-17,19H2,2-9H3 |
| InChI Key | BAPVNVKFIAUMGZ-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C35H48O4 |
| Molecular Weight | 532.80 g/mol |
| Exact Mass | 532.35526001 g/mol |
| Topological Polar Surface Area (TPSA) | 69.90 Ų |
| XlogP | 10.90 |
| There are no found synonyms. |
![2D Structure of 4-[3-[4-Hydroxy-5-(3-methylbut-2-enoxy)-2,3-bis(3-methylbut-2-enyl)phenyl]propyl]-6-(2-methylbut-3-en-2-yl)benzene-1,3-diol](https://plantaedb.com/storage/docs/compounds/2023/11/720e7790-8622-11ee-922a-1b101f5474aa.jpg "2D Structure of 4-[3-[4-Hydroxy-5-(3-methylbut-2-enoxy)-2,3-bis(3-methylbut-2-enyl)phenyl]propyl]-6-(2-methylbut-3-en-2-yl)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 | 99.39% | 91.11% |
| CHEMBL1293255 | P15428 | 15-hydroxyprostaglandin dehydrogenase [NAD+] | 96.45% | 83.57% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 95.91% | 94.73% |
| CHEMBL2581 | P07339 | Cathepsin D | 95.26% | 98.95% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 93.72% | 86.33% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 92.79% | 99.17% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 91.22% | 91.49% |
| CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 89.79% | 89.62% |
| CHEMBL1293267 | Q9HC97 | G-protein coupled receptor 35 | 89.43% | 89.34% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 89.27% | 96.09% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 89.15% | 92.94% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 89.00% | 96.95% |
| CHEMBL5469 | Q14289 | Protein tyrosine kinase 2 beta | 86.60% | 91.03% |
| CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 84.24% | 97.21% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 83.22% | 95.89% |
| CHEMBL3194 | P02766 | Transthyretin | 83.08% | 90.71% |
| CHEMBL3714130 | P46095 | G-protein coupled receptor 6 | 80.54% | 97.36% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 80.34% | 95.56% |
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.
| Broussonetia papyrifera |
| PubChem | 21637681 |
| LOTUS | LTS0148882 |
| wikiData | Q104922352 |