2,5-dihydroxy-3-methyl-6-[(2S)-6-methylhept-5-en-2-yl]cyclohexa-2,5-diene-1,4-dione
| Internal ID | 27307ab3-febf-4fd1-8017-16690f0707f8 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Sesquiterpenoids |
| IUPAC Name | 2,5-dihydroxy-3-methyl-6-[(2S)-6-methylhept-5-en-2-yl]cyclohexa-2,5-diene-1,4-dione |
| SMILES (Canonical) | CC1=C(C(=O)C(=C(C1=O)O)C(C)CCC=C(C)C)O |
| SMILES (Isomeric) | CC1=C(C(=O)C(=C(C1=O)O)[C@@H](C)CCC=C(C)C)O |
| InChI | InChI=1S/C15H20O4/c1-8(2)6-5-7-9(3)11-14(18)12(16)10(4)13(17)15(11)19/h6,9,16,19H,5,7H2,1-4H3/t9-/m0/s1 |
| InChI Key | QBLNXRHAHZPPDO-VIFPVBQESA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C15H20O4 |
| Molecular Weight | 264.32 g/mol |
| Exact Mass | 264.13615911 g/mol |
| Topological Polar Surface Area (TPSA) | 74.60 Ų |
| XlogP | 3.20 |
| There are no found synonyms. |
![2D Structure of 2,5-dihydroxy-3-methyl-6-[(2S)-6-methylhept-5-en-2-yl]cyclohexa-2,5-diene-1,4-dione](https://plantaedb.com/storage/docs/compounds/2023/11/25-dihydroxy-3-methyl-6-2s-6-methylhept-5-en-2-ylcyclohexa-25-diene-14-dione.jpg "2D Structure of 2,5-dihydroxy-3-methyl-6-[(2S)-6-methylhept-5-en-2-yl]cyclohexa-2,5-diene-1,4-dione")
| 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 |
|---|---|---|---|---|
| CHEMBL2581 | P07339 | Cathepsin D | 95.94% | 98.95% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 91.93% | 94.73% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 91.40% | 94.75% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 90.73% | 95.56% |
| CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 85.16% | 97.21% |
| CHEMBL2107 | P61073 | C-X-C chemokine receptor type 4 | 84.08% | 93.10% |
| CHEMBL5163 | Q9NY46 | Sodium channel protein type III alpha subunit | 83.84% | 96.90% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 83.28% | 90.71% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 82.47% | 93.56% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 81.50% | 91.11% |
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.
| There are no matching plants. |
| PubChem | 162991324 |
| LOTUS | LTS0122307 |
| wikiData | Q105217899 |