Deliseic acid
| Internal ID | 18aff491-0050-4719-9df9-614fdd0b808b |
| Taxonomy | Phenylpropanoids and polyketides > Depsides and depsidones |
| IUPAC Name | 4-[4-(3-acetyloxy-4-hydroxy-6-methoxy-2-methylbenzoyl)oxy-2-hydroxy-6-methylbenzoyl]oxy-2-hydroxy-6-methylbenzoic acid |
| SMILES (Canonical) | CC1=CC(=CC(=C1C(=O)O)O)OC(=O)C2=C(C=C(C=C2C)OC(=O)C3=C(C=C(C(=C3C)OC(=O)C)O)OC)O |
| SMILES (Isomeric) | CC1=CC(=CC(=C1C(=O)O)O)OC(=O)C2=C(C=C(C=C2C)OC(=O)C3=C(C=C(C(=C3C)OC(=O)C)O)OC)O |
| InChI | InChI=1S/C27H24O12/c1-11-6-15(8-17(29)21(11)25(32)33)38-26(34)22-12(2)7-16(9-18(22)30)39-27(35)23-13(3)24(37-14(4)28)19(31)10-20(23)36-5/h6-10,29-31H,1-5H3,(H,32,33) |
| InChI Key | JNMPYYUSPCHVNX-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C27H24O12 |
| Molecular Weight | 540.50 g/mol |
| Exact Mass | 540.12677620 g/mol |
| Topological Polar Surface Area (TPSA) | 186.00 Ų |
| XlogP | 5.10 |
| There are no found synonyms. |
| 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 |
|---|---|---|---|---|
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 92.63% | 99.15% |
| CHEMBL3194 | P02766 | Transthyretin | 90.51% | 90.71% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 90.13% | 96.09% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 90.01% | 99.17% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 89.81% | 90.00% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 89.05% | 91.11% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 87.36% | 86.33% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 85.42% | 95.56% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 85.09% | 94.00% |
| CHEMBL2535 | P11166 | Glucose transporter | 83.63% | 98.75% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 83.60% | 96.00% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 83.39% | 95.50% |
| CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 83.28% | 97.21% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 82.89% | 91.07% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 82.25% | 85.14% |
| CHEMBL1255126 | O15151 | Protein Mdm4 | 82.09% | 90.20% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 81.39% | 94.45% |
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.
| There are no matching plants. |
| PubChem | 139587101 |
| LOTUS | LTS0160559 |
| wikiData | Q77521445 |