3,4,5-Tris[(2-phenylacetyl)oxy]cyclohexene-1-carboxylic acid
| Internal ID | d77c1fff-d3ed-4568-8102-c19a2f400954 |
| Taxonomy | Organic acids and derivatives > Carboxylic acids and derivatives > Tetracarboxylic acids and derivatives |
| IUPAC Name | 3,4,5-tris[(2-phenylacetyl)oxy]cyclohexene-1-carboxylic acid |
| SMILES (Canonical) | C1C(C(C(C=C1C(=O)O)OC(=O)CC2=CC=CC=C2)OC(=O)CC3=CC=CC=C3)OC(=O)CC4=CC=CC=C4 |
| SMILES (Isomeric) | C1C(C(C(C=C1C(=O)O)OC(=O)CC2=CC=CC=C2)OC(=O)CC3=CC=CC=C3)OC(=O)CC4=CC=CC=C4 |
| InChI | InChI=1S/C31H28O8/c32-27(16-21-10-4-1-5-11-21)37-25-19-24(31(35)36)20-26(38-28(33)17-22-12-6-2-7-13-22)30(25)39-29(34)18-23-14-8-3-9-15-23/h1-15,19,25-26,30H,16-18,20H2,(H,35,36) |
| InChI Key | ATFGPUOYVJGVCA-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C31H28O8 |
| Molecular Weight | 528.50 g/mol |
| Exact Mass | 528.17841785 g/mol |
| Topological Polar Surface Area (TPSA) | 116.00 Ų |
| XlogP | 4.80 |
| There are no found synonyms. |
![2D Structure of 3,4,5-Tris[(2-phenylacetyl)oxy]cyclohexene-1-carboxylic acid](https://plantaedb.com/storage/docs/compounds/2023/11/345-tris2-phenylacetyloxycyclohexene-1-carboxylic-acid.jpg "2D Structure of 3,4,5-Tris[(2-phenylacetyl)oxy]cyclohexene-1-carboxylic acid")
| 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 | 98.25% | 96.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 96.65% | 98.95% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 96.30% | 90.17% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 89.44% | 95.56% |
| CHEMBL216 | P11229 | Muscarinic acetylcholine receptor M1 | 87.81% | 94.23% |
| CHEMBL2035 | P08912 | Muscarinic acetylcholine receptor M5 | 87.27% | 94.62% |
| CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 83.23% | 93.00% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 82.74% | 86.33% |
| CHEMBL2095172 | P14867 | GABA-A receptor; alpha-1/beta-2/gamma-2 | 82.17% | 92.67% |
| CHEMBL5028 | O14672 | ADAM10 | 80.85% | 97.50% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 80.45% | 95.89% |
| CHEMBL1821 | P08173 | Muscarinic acetylcholine receptor M4 | 80.33% | 94.08% |
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.
| Senecio subrubriflorus |
| Senecio variabilis |
| PubChem | 163047239 |
| LOTUS | LTS0206259 |
| wikiData | Q104918369 |