[5-(Cyclopent-2-ene-1-carbonyloxy)-3,4-dihydroxy-6-[4-hydroxy-2-(hydroxymethyl)phenoxy]oxan-2-yl]methyl cyclopent-2-ene-1-carboxylate
| Internal ID | 8e41b994-bc32-416b-8ced-b4461277f79d |
| Taxonomy | Lipids and lipid-like molecules > Saccharolipids |
| IUPAC Name | [5-(cyclopent-2-ene-1-carbonyloxy)-3,4-dihydroxy-6-[4-hydroxy-2-(hydroxymethyl)phenoxy]oxan-2-yl]methyl cyclopent-2-ene-1-carboxylate |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C25H30O10/c26-12-16-11-17(27)9-10-18(16)33-25-22(35-24(31)15-7-3-4-8-15)21(29)20(28)19(34-25)13-32-23(30)14-5-1-2-6-14/h1,3,5,7,9-11,14-15,19-22,25-29H,2,4,6,8,12-13H2 |
| InChI Key | FLRFVKCAADYKGV-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C25H30O10 |
| Molecular Weight | 490.50 g/mol |
| Exact Mass | 490.18389715 g/mol |
| Topological Polar Surface Area (TPSA) | 152.00 Ų |
| XlogP | 1.50 |
| There are no found synonyms. |
![2D Structure of [5-(Cyclopent-2-ene-1-carbonyloxy)-3,4-dihydroxy-6-[4-hydroxy-2-(hydroxymethyl)phenoxy]oxan-2-yl]methyl cyclopent-2-ene-1-carboxylate](https://plantaedb.com/storage/docs/compounds/2023/11/0c87ca00-85b2-11ee-8a30-01ceac1c1c53.jpg "2D Structure of [5-(Cyclopent-2-ene-1-carbonyloxy)-3,4-dihydroxy-6-[4-hydroxy-2-(hydroxymethyl)phenoxy]oxan-2-yl]methyl cyclopent-2-ene-1-carboxylate")
| 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 | 98.56% | 91.11% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 97.94% | 83.82% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 97.11% | 96.09% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 92.76% | 97.09% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 90.45% | 89.00% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 90.03% | 95.89% |
| CHEMBL2563 | Q9UQL6 | Histone deacetylase 5 | 89.30% | 89.67% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 89.02% | 99.17% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 88.97% | 95.93% |
| CHEMBL1293255 | P15428 | 15-hydroxyprostaglandin dehydrogenase [NAD+] | 87.98% | 83.57% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 87.75% | 94.45% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 86.93% | 90.00% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 85.73% | 94.00% |
| CHEMBL3714130 | P46095 | G-protein coupled receptor 6 | 84.78% | 97.36% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 84.09% | 94.73% |
| CHEMBL5255 | O00206 | Toll-like receptor 4 | 84.07% | 92.50% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 83.80% | 92.62% |
| CHEMBL2581 | P07339 | Cathepsin D | 83.40% | 98.95% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 82.75% | 95.56% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 80.52% | 86.33% |
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.
| Scolopia spinosa |
| PubChem | 162847823 |
| LOTUS | LTS0207033 |
| wikiData | Q104997393 |