2-methyl-5-[(1S)-1,2,2-trimethylcyclopentyl]benzene-1,4-diol
| Internal ID | 1d34b522-a5f7-4cca-8918-fe7cc500c54e |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Sesquiterpenoids |
| IUPAC Name | 2-methyl-5-[(1S)-1,2,2-trimethylcyclopentyl]benzene-1,4-diol |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C15H22O2/c1-10-8-13(17)11(9-12(10)16)15(4)7-5-6-14(15,2)3/h8-9,16-17H,5-7H2,1-4H3/t15-/m1/s1 |
| InChI Key | GDVVPXPJALHXQC-OAHLLOKOSA-N |
| Popularity | 3 references in papers |
| Molecular Formula | C15H22O2 |
| Molecular Weight | 234.33 g/mol |
| Exact Mass | 234.161979940 g/mol |
| Topological Polar Surface Area (TPSA) | 40.50 Ų |
| XlogP | 4.80 |
| There are no found synonyms. |
![2D Structure of 2-methyl-5-[(1S)-1,2,2-trimethylcyclopentyl]benzene-1,4-diol](https://plantaedb.com/storage/docs/compounds/2023/11/2-methyl-5-1s-122-trimethylcyclopentylbenzene-14-diol.jpg "2D Structure of 2-methyl-5-[(1S)-1,2,2-trimethylcyclopentyl]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 | 95.97% | 91.11% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 89.94% | 94.75% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 89.76% | 90.00% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 87.82% | 95.56% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 86.78% | 93.40% |
| CHEMBL2041 | P07949 | Tyrosine-protein kinase receptor RET | 85.56% | 91.79% |
| CHEMBL233 | P35372 | Mu opioid receptor | 84.78% | 97.93% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 83.07% | 86.33% |
| CHEMBL3492 | P49721 | Proteasome Macropain subunit | 82.11% | 90.24% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 81.84% | 96.09% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 80.49% | 99.15% |
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.
| Lejeunea aquatica |
| PubChem | 102425908 |
| LOTUS | LTS0092422 |
| wikiData | Q105006980 |