[4-Hydroxy-2,5-bis(hydroxymethyl)-2-[3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxyoxolan-3-yl] 3-(4-hydroxyphenyl)prop-2-enoate
Internal ID | d83bf389-77db-4d57-9d86-188e6caafb2f |
Taxonomy | Organic acids and derivatives > Carboxylic acids and derivatives > Pentacarboxylic acids and derivatives |
IUPAC Name | [4-hydroxy-2,5-bis(hydroxymethyl)-2-[3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxyoxolan-3-yl] 3-(4-hydroxyphenyl)prop-2-enoate |
SMILES (Canonical) | CC(=O)OCC1C(C(C(C(O1)OC2(C(C(C(O2)CO)O)OC(=O)C=CC3=CC=C(C=C3)O)CO)OC(=O)C)OC(=O)C)OC(=O)C |
SMILES (Isomeric) | CC(=O)OCC1C(C(C(C(O1)OC2(C(C(C(O2)CO)O)OC(=O)C=CC3=CC=C(C=C3)O)CO)OC(=O)C)OC(=O)C)OC(=O)C |
InChI | InChI=1S/C29H36O17/c1-14(32)39-12-21-24(40-15(2)33)25(41-16(3)34)26(42-17(4)35)28(43-21)46-29(13-31)27(23(38)20(11-30)45-29)44-22(37)10-7-18-5-8-19(36)9-6-18/h5-10,20-21,23-28,30-31,36,38H,11-13H2,1-4H3 |
InChI Key | LGQLHZODXDTPIE-UHFFFAOYSA-N |
Popularity | 0 references in papers |
Molecular Formula | C29H36O17 |
Molecular Weight | 656.60 g/mol |
Exact Mass | 656.19524968 g/mol |
Topological Polar Surface Area (TPSA) | 240.00 Ų |
XlogP | -0.40 |
There are no found synonyms. |
![2D Structure of [4-Hydroxy-2,5-bis(hydroxymethyl)-2-[3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxyoxolan-3-yl] 3-(4-hydroxyphenyl)prop-2-enoate 2D Structure of [4-Hydroxy-2,5-bis(hydroxymethyl)-2-[3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxyoxolan-3-yl] 3-(4-hydroxyphenyl)prop-2-enoate](https://plantaedb.com/storage/docs/compounds/2023/11/4643e2e0-8615-11ee-a9e1-5da5a2f9f0b8.jpg)
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 | 98.41% | 91.11% |
CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 97.02% | 96.09% |
CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 95.58% | 85.14% |
CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 92.61% | 86.33% |
CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 92.41% | 94.45% |
CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 91.61% | 96.00% |
CHEMBL226 | P30542 | Adenosine A1 receptor | 91.50% | 95.93% |
CHEMBL3401 | O75469 | Pregnane X receptor | 91.38% | 94.73% |
CHEMBL2581 | P07339 | Cathepsin D | 89.10% | 98.95% |
CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 88.36% | 89.00% |
CHEMBL4481 | P35228 | Nitric oxide synthase, inducible | 87.30% | 94.80% |
CHEMBL5852 | Q96P65 | Pyroglutamylated RFamide peptide receptor | 85.96% | 85.00% |
CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 84.95% | 99.17% |
CHEMBL2996 | Q05655 | Protein kinase C delta | 84.60% | 97.79% |
CHEMBL3137262 | O60341 | LSD1/CoREST complex | 84.49% | 97.09% |
CHEMBL5255 | O00206 | Toll-like receptor 4 | 84.36% | 92.50% |
CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 84.17% | 95.56% |
CHEMBL340 | P08684 | Cytochrome P450 3A4 | 82.77% | 91.19% |
CHEMBL3194 | P02766 | Transthyretin | 82.68% | 90.71% |
CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 81.47% | 95.89% |
CHEMBL2107 | P61073 | C-X-C chemokine receptor type 4 | 80.05% | 93.10% |
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.
Prunus padus |
PubChem | 73814617 |
LOTUS | LTS0150396 |
wikiData | Q105151529 |