2-[(E)-5-[4-hydroxy-3-(hydroxymethyl)-2,6-dimethylphenyl]-3-methylpent-2-enyl]benzene-1,4-diol
| Internal ID | c8934d25-798c-4491-8506-db094975e355 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Sesquiterpenoids |
| IUPAC Name | 2-[(E)-5-[4-hydroxy-3-(hydroxymethyl)-2,6-dimethylphenyl]-3-methylpent-2-enyl]benzene-1,4-diol |
| SMILES (Canonical) | CC1=CC(=C(C(=C1CCC(=CCC2=C(C=CC(=C2)O)O)C)C)CO)O |
| SMILES (Isomeric) | CC1=CC(=C(C(=C1CC/C(=C/CC2=C(C=CC(=C2)O)O)/C)C)CO)O |
| InChI | InChI=1S/C21H26O4/c1-13(4-6-16-11-17(23)7-9-20(16)24)5-8-18-14(2)10-21(25)19(12-22)15(18)3/h4,7,9-11,22-25H,5-6,8,12H2,1-3H3/b13-4+ |
| InChI Key | NFPCTCBZGNWBDK-YIXHJXPBSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C21H26O4 |
| Molecular Weight | 342.40 g/mol |
| Exact Mass | 342.18310931 g/mol |
| Topological Polar Surface Area (TPSA) | 80.90 Ų |
| XlogP | 5.00 |
| There are no found synonyms. |
![2D Structure of 2-[(E)-5-[4-hydroxy-3-(hydroxymethyl)-2,6-dimethylphenyl]-3-methylpent-2-enyl]benzene-1,4-diol](https://plantaedb.com/storage/docs/compounds/2023/11/2-e-5-4-hydroxy-3-hydroxymethyl-26-dimethylphenyl-3-methylpent-2-enylbenzene-14-diol.jpg "2D Structure of 2-[(E)-5-[4-hydroxy-3-(hydroxymethyl)-2,6-dimethylphenyl]-3-methylpent-2-enyl]benzene-1,4-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 | 97.92% | 91.11% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 95.33% | 91.49% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 93.27% | 94.73% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 91.55% | 99.15% |
| CHEMBL2581 | P07339 | Cathepsin D | 90.63% | 98.95% |
| CHEMBL2107 | P61073 | C-X-C chemokine receptor type 4 | 87.01% | 93.10% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 86.79% | 90.00% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 86.19% | 86.33% |
| CHEMBL2039 | P27338 | Monoamine oxidase B | 85.79% | 92.51% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 85.34% | 95.56% |
| CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 85.08% | 89.62% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 82.60% | 99.17% |
| CHEMBL2288 | Q13526 | Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 | 82.28% | 91.71% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 81.56% | 89.00% |
Below are displayed all the plants proven (via scientific papers) to contain this
compound!
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| There are no matching plants. |
| PubChem | 10043022 |
| LOTUS | LTS0102521 |
| wikiData | Q105178604 |