1-O-Acetylterricolyne
| Internal ID | 7cf691dc-fa5f-4ad7-802d-c38cf1d241a6 |
| Taxonomy | Benzenoids > Benzene and substituted derivatives > Benzyloxycarbonyls |
| IUPAC Name | [4-[(2S)-2-hydroxybut-3-ynoxy]phenyl]methyl acetate |
| SMILES (Canonical) | CC(=O)OCC1=CC=C(C=C1)OCC(C#C)O |
| SMILES (Isomeric) | CC(=O)OCC1=CC=C(C=C1)OC[C@H](C#C)O |
| InChI | InChI=1S/C13H14O4/c1-3-12(15)9-17-13-6-4-11(5-7-13)8-16-10(2)14/h1,4-7,12,15H,8-9H2,2H3/t12-/m0/s1 |
| InChI Key | HPYUVJOUOVWPNC-LBPRGKRZSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C13H14O4 |
| Molecular Weight | 234.25 g/mol |
| Exact Mass | 234.08920892 g/mol |
| Topological Polar Surface Area (TPSA) | 55.80 Ų |
| XlogP | 1.00 |
| [4-[(2S)-2-hydroxybut-3-ynoxy]phenyl]methyl acetate |
| (4-((2S)-2-hydroxybut-3-ynoxy)phenyl)methyl acetate |
| (4-(((2S)-2-hydroxybut-3-yn-1-yl)oxy)phenyl)methyl acetic acid |
| (4-{[(2S)-2-hydroxybut-3-yn-1-yl]oxy}phenyl)methyl acetic acid |
| RefChem:76676 |
| CHEMBL1078266 |
| CHEBI:227330 |
| 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 |
|---|---|---|---|---|
| CHEMBL2039 | P27338 | Monoamine oxidase B | 97.73% | 92.51% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 97.19% | 96.09% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 96.72% | 99.17% |
| CHEMBL2581 | P07339 | Cathepsin D | 94.24% | 98.95% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 89.57% | 95.50% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 88.09% | 90.00% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 87.72% | 91.11% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 86.71% | 94.73% |
| CHEMBL3437 | Q16853 | Amine oxidase, copper containing | 86.59% | 94.00% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 84.46% | 94.00% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 84.11% | 90.17% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 84.08% | 94.45% |
| CHEMBL2095172 | P14867 | GABA-A receptor; alpha-1/beta-2/gamma-2 | 83.82% | 92.67% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 83.20% | 96.00% |
| CHEMBL2035 | P08912 | Muscarinic acetylcholine receptor M5 | 81.80% | 94.62% |
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 | 46882751 |
| LOTUS | LTS0131471 |
| wikiData | Q105032055 |