(3R)-6-hydroxy-1'-methoxy-2,3'-dioxo-4-pentyl-5'-propylspiro[1-benzofuran-3,6'-cyclohexa-1,4-diene]-5-carboxylic acid
| Internal ID | 07b0c2d0-8bed-42d4-b0de-786c04c182bc |
| Taxonomy | Benzenoids > Benzene and substituted derivatives > Benzoic acids and derivatives > Salicylic acid and derivatives |
| IUPAC Name | (3R)-6-hydroxy-1'-methoxy-2,3'-dioxo-4-pentyl-5'-propylspiro[1-benzofuran-3,6'-cyclohexa-1,4-diene]-5-carboxylic acid |
| SMILES (Canonical) | CCCCCC1=C(C(=CC2=C1C3(C(=CC(=O)C=C3OC)CCC)C(=O)O2)O)C(=O)O |
| SMILES (Isomeric) | CCCCCC1=C(C(=CC2=C1[C@@]3(C(=CC(=O)C=C3OC)CCC)C(=O)O2)O)C(=O)O |
| InChI | InChI=1S/C23H26O7/c1-4-6-7-9-15-19(21(26)27)16(25)12-17-20(15)23(22(28)30-17)13(8-5-2)10-14(24)11-18(23)29-3/h10-12,25H,4-9H2,1-3H3,(H,26,27)/t23-/m0/s1 |
| InChI Key | YKIVLKOVDRIXKW-QHCPKHFHSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C23H26O7 |
| Molecular Weight | 414.40 g/mol |
| Exact Mass | 414.16785316 g/mol |
| Topological Polar Surface Area (TPSA) | 110.00 Ų |
| XlogP | 4.50 |
| There are no found synonyms. |
![2D Structure of (3R)-6-hydroxy-1'-methoxy-2,3'-dioxo-4-pentyl-5'-propylspiro[1-benzofuran-3,6'-cyclohexa-1,4-diene]-5-carboxylic acid](https://plantaedb.com/storage/docs/compounds/2023/11/cbd2fa80-8655-11ee-a055-1f5f793e5bd3.jpg "2D Structure of (3R)-6-hydroxy-1'-methoxy-2,3'-dioxo-4-pentyl-5'-propylspiro[1-benzofuran-3,6'-cyclohexa-1,4-diene]-5-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 |
|---|---|---|---|---|
| CHEMBL2581 | P07339 | Cathepsin D | 97.76% | 98.95% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 97.19% | 91.11% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 96.73% | 86.33% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 93.92% | 94.45% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 91.88% | 96.09% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 91.76% | 95.56% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 90.86% | 99.17% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 90.42% | 99.23% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 89.84% | 96.95% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 88.69% | 94.73% |
| CHEMBL4769 | O95749 | Geranylgeranyl pyrophosphate synthetase | 88.13% | 92.08% |
| CHEMBL3864 | Q06124 | Protein-tyrosine phosphatase 2C | 85.88% | 94.42% |
| CHEMBL1907 | P15144 | Aminopeptidase N | 85.67% | 93.31% |
| CHEMBL2146302 | O94925 | Glutaminase kidney isoform, mitochondrial | 85.63% | 100.00% |
| CHEMBL2069156 | Q14145 | Kelch-like ECH-associated protein 1 | 83.63% | 82.38% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 83.39% | 95.50% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 83.19% | 90.71% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 80.02% | 96.00% |
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.
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| There are no matching plants. |
| PubChem | 162994250 |
| LOTUS | LTS0210566 |
| wikiData | Q105349712 |