[2-(Hydroxymethyl)-10-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,9-dioxatricyclo[4.4.0.02,4]dec-7-en-5-yl] 3-[3-hydroxy-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]prop-2-enoate
| Internal ID | f5004b11-26c9-4c89-91be-b12e5843cbd9 |
| Taxonomy | Organic oxygen compounds > Organooxygen compounds > Carbohydrates and carbohydrate conjugates > Glycosyl compounds > Phenolic glycosides |
| IUPAC Name | [2-(hydroxymethyl)-10-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,9-dioxatricyclo[4.4.0.02,4]dec-7-en-5-yl] 3-[3-hydroxy-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]prop-2-enoate |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C30H38O18/c31-8-15-19(36)21(38)23(40)28(44-15)43-14-3-1-11(7-13(14)34)2-4-17(35)46-25-12-5-6-42-27(18(12)30(10-33)26(25)48-30)47-29-24(41)22(39)20(37)16(9-32)45-29/h1-7,12,15-16,18-29,31-34,36-41H,8-10H2 |
| InChI Key | ANEVGLDJVAGIAL-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C30H38O18 |
| Molecular Weight | 686.60 g/mol |
| Exact Mass | 686.20581436 g/mol |
| Topological Polar Surface Area (TPSA) | 287.00 Ų |
| XlogP | -3.10 |
| There are no found synonyms. |
![2D Structure of [2-(Hydroxymethyl)-10-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,9-dioxatricyclo[4.4.0.02,4]dec-7-en-5-yl] 3-[3-hydroxy-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]prop-2-enoate](https://plantaedb.com/storage/docs/compounds/2023/11/54316cc0-8611-11ee-998e-0f885771aec9.jpg "2D Structure of [2-(Hydroxymethyl)-10-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,9-dioxatricyclo[4.4.0.02,4]dec-7-en-5-yl] 3-[3-hydroxy-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]prop-2-enoate")
| 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 | 99.42% | 91.11% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 96.23% | 86.33% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 95.30% | 89.00% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 94.57% | 91.49% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 93.63% | 96.00% |
| CHEMBL3194 | P02766 | Transthyretin | 93.12% | 90.71% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 92.94% | 95.56% |
| CHEMBL1293255 | P15428 | 15-hydroxyprostaglandin dehydrogenase [NAD+] | 92.57% | 83.57% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 90.39% | 96.09% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 90.34% | 94.45% |
| CHEMBL3880 | P07900 | Heat shock protein HSP 90-alpha | 89.51% | 96.21% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 86.29% | 97.09% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 86.14% | 99.17% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 85.72% | 90.00% |
| CHEMBL4016 | P42262 | Glutamate receptor ionotropic, AMPA 2 | 85.06% | 86.92% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 84.56% | 96.95% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 83.87% | 94.73% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 83.55% | 92.94% |
| CHEMBL2035 | P08912 | Muscarinic acetylcholine receptor M5 | 81.15% | 94.62% |
| CHEMBL3713062 | P10646 | Tissue factor pathway inhibitor | 80.96% | 97.33% |
| CHEMBL1293267 | Q9HC97 | G-protein coupled receptor 35 | 80.31% | 89.34% |
| CHEMBL216 | P11229 | Muscarinic acetylcholine receptor M1 | 80.29% | 94.23% |
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.
| Veronica alpina |
| PubChem | 162921726 |
| LOTUS | LTS0010710 |
| wikiData | Q104915104 |