2-[2-(Hydroxymethyl)-3-methyl-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxycyclopent-2-en-1-yl]ethyl 4-hydroxybenzoate
| Internal ID | 1b2f91a2-c6c9-423f-a87b-fd17942bed56 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Terpene glycosides |
| IUPAC Name | 2-[2-(hydroxymethyl)-3-methyl-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxycyclopent-2-en-1-yl]ethyl 4-hydroxybenzoate |
| SMILES (Canonical) | CC1=C(C(C(C1)OC2C(C(C(C(O2)CO)O)O)O)CCOC(=O)C3=CC=C(C=C3)O)CO |
| SMILES (Isomeric) | CC1=C(C(C(C1)OC2C(C(C(C(O2)CO)O)O)O)CCOC(=O)C3=CC=C(C=C3)O)CO |
| InChI | InChI=1S/C22H30O10/c1-11-8-16(31-22-20(28)19(27)18(26)17(10-24)32-22)14(15(11)9-23)6-7-30-21(29)12-2-4-13(25)5-3-12/h2-5,14,16-20,22-28H,6-10H2,1H3 |
| InChI Key | FVEWFIHDICYCAS-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C22H30O10 |
| Molecular Weight | 454.50 g/mol |
| Exact Mass | 454.18389715 g/mol |
| Topological Polar Surface Area (TPSA) | 166.00 Ų |
| XlogP | -0.90 |
| There are no found synonyms. |
![2D Structure of 2-[2-(Hydroxymethyl)-3-methyl-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxycyclopent-2-en-1-yl]ethyl 4-hydroxybenzoate](https://plantaedb.com/storage/docs/compounds/2023/11/137acec0-863d-11ee-97a1-ffc81cb14d0e.jpg "2D Structure of 2-[2-(Hydroxymethyl)-3-methyl-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxycyclopent-2-en-1-yl]ethyl 4-hydroxybenzoate")
| 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 | 94.54% | 96.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 90.80% | 98.95% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 89.30% | 91.11% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 89.07% | 94.73% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 88.69% | 97.09% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 88.59% | 86.33% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 88.14% | 99.17% |
| CHEMBL220 | P22303 | Acetylcholinesterase | 87.17% | 94.45% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 84.78% | 95.89% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 83.90% | 94.00% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 83.26% | 90.00% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 83.24% | 89.00% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 81.65% | 95.56% |
| CHEMBL5852 | Q96P65 | Pyroglutamylated RFamide peptide receptor | 80.98% | 85.00% |
Below are displayed all the plants proven (via scientific papers) to contain this
compound!
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| There are no matching plants. |
| PubChem | 73804535 |
| LOTUS | LTS0083167 |
| wikiData | Q105002343 |