5-[2-(3,7-Dimethylocta-2,6-dienyl)-4,5-dihydroxyphenyl]-2-(3-methylbut-2-enyl)benzene-1,3-diol
| Internal ID | b504f95b-fbfa-4aa0-8984-8c442078c81a |
| Taxonomy | Benzenoids > Benzene and substituted derivatives > Biphenyls and derivatives |
| IUPAC Name | 5-[2-(3,7-dimethylocta-2,6-dienyl)-4,5-dihydroxyphenyl]-2-(3-methylbut-2-enyl)benzene-1,3-diol |
| SMILES (Canonical) | CC(=CCCC(=CCC1=CC(=C(C=C1C2=CC(=C(C(=C2)O)CC=C(C)C)O)O)O)C)C |
| SMILES (Isomeric) | CC(=CCCC(=CCC1=CC(=C(C=C1C2=CC(=C(C(=C2)O)CC=C(C)C)O)O)O)C)C |
| InChI | InChI=1S/C27H34O4/c1-17(2)7-6-8-19(5)10-11-20-13-26(30)27(31)16-23(20)21-14-24(28)22(25(29)15-21)12-9-18(3)4/h7,9-10,13-16,28-31H,6,8,11-12H2,1-5H3 |
| InChI Key | UXVUTAYGHIXRNS-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C27H34O4 |
| Molecular Weight | 422.60 g/mol |
| Exact Mass | 422.24570956 g/mol |
| Topological Polar Surface Area (TPSA) | 80.90 Ų |
| XlogP | 7.80 |
| There are no found synonyms. |
![2D Structure of 5-[2-(3,7-Dimethylocta-2,6-dienyl)-4,5-dihydroxyphenyl]-2-(3-methylbut-2-enyl)benzene-1,3-diol](https://plantaedb.com/storage/docs/compounds/2023/11/5-2-37-dimethylocta-26-dienyl-45-dihydroxyphenyl-2-3-methylbut-2-enylbenzene-13-diol.jpg "2D Structure of 5-[2-(3,7-Dimethylocta-2,6-dienyl)-4,5-dihydroxyphenyl]-2-(3-methylbut-2-enyl)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 | 98.35% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 95.31% | 98.95% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 95.10% | 91.49% |
| CHEMBL4769 | O95749 | Geranylgeranyl pyrophosphate synthetase | 94.53% | 92.08% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 92.11% | 94.73% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 86.68% | 99.17% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 84.94% | 86.33% |
| CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 82.93% | 97.21% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 82.62% | 96.09% |
| CHEMBL1293255 | P15428 | 15-hydroxyprostaglandin dehydrogenase [NAD+] | 81.51% | 83.57% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 80.26% | 90.00% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 80.00% | 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.
| Clusia paralicola |
| PubChem | 57372468 |
| LOTUS | LTS0260726 |
| wikiData | Q105281082 |