Cyclopentaneacetic acid, 3-(beta-D-glucopyranosyloxy)-2-(2-pentenyl)-, [1R-[1alpha,2beta(Z),3alpha]]-
| Internal ID | cabf37f5-eb0b-40b8-bd77-aa0c7b087ce6 |
| Taxonomy | Lipids and lipid-like molecules > Fatty Acyls > Fatty acyl glycosides > Fatty acyl glycosides of mono- and disaccharides |
| IUPAC Name | 2-[(1R,2R,3R)-2-[(Z)-pent-2-enyl]-3-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxycyclopentyl]acetic acid |
| SMILES (Canonical) | CCC=CCC1C(CCC1OC2C(C(C(C(O2)CO)O)O)O)CC(=O)O |
| SMILES (Isomeric) | CC/C=C\C[C@@H]1[C@H](CC[C@H]1O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)CC(=O)O |
| InChI | InChI=1S/C18H30O8/c1-2-3-4-5-11-10(8-14(20)21)6-7-12(11)25-18-17(24)16(23)15(22)13(9-19)26-18/h3-4,10-13,15-19,22-24H,2,5-9H2,1H3,(H,20,21)/b4-3-/t10-,11-,12-,13-,15-,16+,17-,18-/m1/s1 |
| InChI Key | GJZJZRWFRZFTEE-WSWXFMRZSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C18H30O8 |
| Molecular Weight | 374.40 g/mol |
| Exact Mass | 374.19406791 g/mol |
| Topological Polar Surface Area (TPSA) | 137.00 Ų |
| XlogP | 0.30 |
| 176486-13-8 |
| Cyclopentaneacetic acid, 3-(beta-D-glucopyranosyloxy)-2-(2-pentenyl)-, [1R-[1alpha,2beta(Z),3alpha]]- |
![2D Structure of Cyclopentaneacetic acid, 3-(beta-D-glucopyranosyloxy)-2-(2-pentenyl)-, [1R-[1alpha,2beta(Z),3alpha]]-](https://plantaedb.com/storage/docs/compounds/2023/11/6332b100-83c6-11ee-9070-533ce38e8523.jpg "2D Structure of Cyclopentaneacetic acid, 3-(beta-D-glucopyranosyloxy)-2-(2-pentenyl)-, [1R-[1alpha,2beta(Z),3alpha]]-")
| 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 |
|---|---|---|---|---|
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 95.71% | 96.09% |
| CHEMBL218 | P21554 | Cannabinoid CB1 receptor | 92.25% | 96.61% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 91.56% | 99.17% |
| CHEMBL2581 | P07339 | Cathepsin D | 91.36% | 98.95% |
| CHEMBL5255 | O00206 | Toll-like receptor 4 | 87.64% | 92.50% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 87.05% | 91.11% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 86.97% | 95.93% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 86.55% | 97.09% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 84.79% | 90.17% |
| CHEMBL220 | P22303 | Acetylcholinesterase | 83.27% | 94.45% |
| CHEMBL1881 | P43116 | Prostanoid EP2 receptor | 80.81% | 93.00% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 80.50% | 96.47% |
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.
| Perilla frutescens |
| PubChem | 163086025 |
| LOTUS | LTS0184640 |
| wikiData | Q105009664 |