[5-Acetyloxy-3-hydroxy-2-methyl-6-[[10-[2,3,4,5-tetrahydroxy-6-(hydroxymethyl)cyclohexyl]oxy-3,9-dioxatricyclo[4.4.0.02,4]dec-7-en-5-yl]oxy]oxan-4-yl] 3-phenylprop-2-enoate
| Internal ID | c83f4011-166e-4bfd-aa3b-226424a9b04e |
| Taxonomy | Phenylpropanoids and polyketides > Cinnamic acids and derivatives > Cinnamic acid esters |
| IUPAC Name | [5-acetyloxy-3-hydroxy-2-methyl-6-[[10-[2,3,4,5-tetrahydroxy-6-(hydroxymethyl)cyclohexyl]oxy-3,9-dioxatricyclo[4.4.0.02,4]dec-7-en-5-yl]oxy]oxan-4-yl] 3-phenylprop-2-enoate |
| SMILES (Canonical) | CC1C(C(C(C(O1)OC2C3C=COC(C3C4C2O4)OC5C(C(C(C(C5O)O)O)O)CO)OC(=O)C)OC(=O)C=CC6=CC=CC=C6)O |
| SMILES (Isomeric) | CC1C(C(C(C(O1)OC2C3C=COC(C3C4C2O4)OC5C(C(C(C(C5O)O)O)O)CO)OC(=O)C)OC(=O)C=CC6=CC=CC=C6)O |
| InChI | InChI=1S/C32H40O15/c1-13-20(36)28(44-18(35)9-8-15-6-4-3-5-7-15)30(43-14(2)34)32(42-13)47-26-16-10-11-41-31(19(16)27-29(26)45-27)46-25-17(12-33)21(37)22(38)23(39)24(25)40/h3-11,13,16-17,19-33,36-40H,12H2,1-2H3 |
| InChI Key | PODSZKKKICCJAM-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C32H40O15 |
| Molecular Weight | 664.60 g/mol |
| Exact Mass | 664.23672056 g/mol |
| Topological Polar Surface Area (TPSA) | 223.00 Ų |
| XlogP | -0.60 |
| There are no found synonyms. |
![2D Structure of [5-Acetyloxy-3-hydroxy-2-methyl-6-[[10-[2,3,4,5-tetrahydroxy-6-(hydroxymethyl)cyclohexyl]oxy-3,9-dioxatricyclo[4.4.0.02,4]dec-7-en-5-yl]oxy]oxan-4-yl] 3-phenylprop-2-enoate](https://plantaedb.com/storage/docs/compounds/2023/11/b7d72210-8756-11ee-b69d-cf70aedf4307.jpg "2D Structure of [5-Acetyloxy-3-hydroxy-2-methyl-6-[[10-[2,3,4,5-tetrahydroxy-6-(hydroxymethyl)cyclohexyl]oxy-3,9-dioxatricyclo[4.4.0.02,4]dec-7-en-5-yl]oxy]oxan-4-yl] 3-phenylprop-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 | 97.67% | 91.11% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 97.46% | 86.33% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 96.27% | 96.09% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 94.79% | 96.00% |
| CHEMBL2581 | P07339 | Cathepsin D | 91.59% | 98.95% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 91.47% | 95.56% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 91.42% | 94.73% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 90.58% | 89.00% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 87.06% | 99.17% |
| CHEMBL4016 | P42262 | Glutamate receptor ionotropic, AMPA 2 | 86.47% | 86.92% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 85.93% | 91.49% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 85.49% | 90.17% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 85.05% | 95.93% |
| CHEMBL1293294 | P51151 | Ras-related protein Rab-9A | 83.43% | 87.67% |
| CHEMBL5678 | P34947 | G protein-coupled receptor kinase 5 | 83.14% | 88.00% |
| CHEMBL5028 | O14672 | ADAM10 | 81.88% | 97.50% |
| CHEMBL1293277 | O15118 | Niemann-Pick C1 protein | 81.77% | 81.11% |
| CHEMBL2716 | Q8WUI4 | Histone deacetylase 7 | 80.10% | 89.44% |
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.
| Nuxia floribunda |
| PubChem | 163011381 |
| LOTUS | LTS0071969 |
| wikiData | Q105212354 |