2-[(2S,5S)-5-[(1S)-2-[4-(2-benzamidoethyl)phenoxy]-1-hydroxyethyl]-5-methyloxolan-2-yl]propan-2-yl acetate
| Internal ID | ec4f3205-6324-4fc5-90bb-8b612f99b78a |
| Taxonomy | Benzenoids > Phenol ethers |
| IUPAC Name | 2-[(2S,5S)-5-[(1S)-2-[4-(2-benzamidoethyl)phenoxy]-1-hydroxyethyl]-5-methyloxolan-2-yl]propan-2-yl acetate |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C27H35NO6/c1-19(29)33-26(2,3)24-14-16-27(4,34-24)23(30)18-32-22-12-10-20(11-13-22)15-17-28-25(31)21-8-6-5-7-9-21/h5-13,23-24,30H,14-18H2,1-4H3,(H,28,31)/t23-,24-,27-/m0/s1 |
| InChI Key | GFABGVSRKCKLKA-DPZBCOQUSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C27H35NO6 |
| Molecular Weight | 469.60 g/mol |
| Exact Mass | 469.24643784 g/mol |
| Topological Polar Surface Area (TPSA) | 94.10 Ų |
| XlogP | 3.70 |
| There are no found synonyms. |
![2D Structure of 2-[(2S,5S)-5-[(1S)-2-[4-(2-benzamidoethyl)phenoxy]-1-hydroxyethyl]-5-methyloxolan-2-yl]propan-2-yl acetate](https://plantaedb.com/storage/docs/compounds/2023/11/8685da70-881b-11ee-ae85-0f0f8bdb86c8.jpg "2D Structure of 2-[(2S,5S)-5-[(1S)-2-[4-(2-benzamidoethyl)phenoxy]-1-hydroxyethyl]-5-methyloxolan-2-yl]propan-2-yl acetate")
| 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 |
|---|---|---|---|---|
| CHEMBL240 | Q12809 | HERG | 99.92% | 89.76% |
| CHEMBL2581 | P07339 | Cathepsin D | 97.30% | 98.95% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 97.11% | 97.25% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 96.73% | 96.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 96.44% | 91.11% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 94.86% | 99.17% |
| CHEMBL2035 | P08912 | Muscarinic acetylcholine receptor M5 | 93.32% | 94.62% |
| CHEMBL2179 | P04062 | Beta-glucocerebrosidase | 93.21% | 85.31% |
| CHEMBL5261 | Q7L7X3 | Serine/threonine-protein kinase TAO1 | 92.94% | 89.33% |
| CHEMBL5701 | Q9H2K8 | Serine/threonine-protein kinase TAO3 | 92.03% | 96.67% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 91.38% | 90.17% |
| CHEMBL3437 | Q16853 | Amine oxidase, copper containing | 91.26% | 94.00% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 91.08% | 86.33% |
| CHEMBL1293294 | P51151 | Ras-related protein Rab-9A | 90.20% | 87.67% |
| CHEMBL2039 | P27338 | Monoamine oxidase B | 89.39% | 92.51% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 89.17% | 97.09% |
| CHEMBL1914 | P06276 | Butyrylcholinesterase | 89.12% | 95.00% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 89.03% | 97.14% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 88.44% | 92.62% |
| CHEMBL4051 | P13569 | Cystic fibrosis transmembrane conductance regulator | 88.21% | 95.71% |
| CHEMBL5028 | O14672 | ADAM10 | 86.14% | 97.50% |
| CHEMBL2535 | P11166 | Glucose transporter | 86.01% | 98.75% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 85.10% | 95.89% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 85.09% | 95.89% |
| CHEMBL211 | P08172 | Muscarinic acetylcholine receptor M2 | 84.96% | 94.97% |
| CHEMBL1293277 | O15118 | Niemann-Pick C1 protein | 84.26% | 81.11% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 84.01% | 94.73% |
| CHEMBL2095172 | P14867 | GABA-A receptor; alpha-1/beta-2/gamma-2 | 83.74% | 92.67% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 83.73% | 100.00% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 82.29% | 91.07% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 82.03% | 95.56% |
| CHEMBL1821 | P08173 | Muscarinic acetylcholine receptor M4 | 80.97% | 94.08% |
| CHEMBL233 | P35372 | Mu opioid receptor | 80.72% | 97.93% |
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.
| Haplophyllum tuberculatum |
| PubChem | 162845188 |
| LOTUS | LTS0041210 |
| wikiData | Q105007447 |