CID 11220141
| Internal ID | 5a3dd3cb-4b02-476f-a056-6403e5a63577 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Sesquiterpenoids |
| IUPAC Name | 4-bromo-2-methyl-5-[(1R)-1,2,2-trimethylcyclopent-3-en-1-yl]phenol |
| SMILES (Canonical) | CC1=CC(=C(C=C1O)C2(CC=CC2(C)C)C)Br |
| SMILES (Isomeric) | CC1=CC(=C(C=C1O)[C@@]2(CC=CC2(C)C)C)Br |
| InChI | InChI=1S/C15H19BrO/c1-10-8-12(16)11(9-13(10)17)15(4)7-5-6-14(15,2)3/h5-6,8-9,17H,7H2,1-4H3/t15-/m0/s1 |
| InChI Key | XLEYZFIMXAGEKY-HNNXBMFYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C15H19BrO |
| Molecular Weight | 295.21 g/mol |
| Exact Mass | 294.06193 g/mol |
| Topological Polar Surface Area (TPSA) | 20.20 Ų |
| XlogP | 5.20 |
| 4-bromo-2-methyl-5-[(1R)-1,2,2-trimethylcyclopent-3-en-1-yl]phenol |
| 4-Bromo-2-methyl-5-[(R)-1,2,2-trimethyl-3-cyclopenten-1-yl]phenol |
| 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 | 98.43% | 91.11% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 90.25% | 92.94% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 88.37% | 90.00% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 88.16% | 95.56% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 84.48% | 83.82% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 81.76% | 94.45% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 81.04% | 89.00% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 80.82% | 99.15% |
| CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 80.37% | 89.62% |
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 | 11220141 |
| LOTUS | LTS0032138 |
| wikiData | Q105329927 |