Genipinic acid
| Internal ID | 8490986a-0e53-462f-8e46-f8ae381eb389 |
| Taxonomy | Organic acids and derivatives > Carboxylic acids and derivatives > Dicarboxylic acids and derivatives |
| IUPAC Name | 2-(3-hydroxy-3,4,5,6-tetrahydro-1H-cyclopenta[c]furan-4-yl)-3-methoxy-3-oxopropanoic acid |
| SMILES (Canonical) | COC(=O)C(C1CCC2=C1C(OC2)O)C(=O)O |
| SMILES (Isomeric) | COC(=O)C(C1CCC2=C1C(OC2)O)C(=O)O |
| InChI | InChI=1S/C11H14O6/c1-16-10(14)8(9(12)13)6-3-2-5-4-17-11(15)7(5)6/h6,8,11,15H,2-4H2,1H3,(H,12,13) |
| InChI Key | XNIJPPBKASPAIZ-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C11H14O6 |
| Molecular Weight | 242.22 g/mol |
| Exact Mass | 242.07903816 g/mol |
| Topological Polar Surface Area (TPSA) | 93.10 Ų |
| XlogP | -0.90 |
| CHEBI:172481 |
| 2-(3-hydroxy-3,4,5,6-tetrahydro-1H-cyclopenta[c]uran-4-yl)-3-methoxy-3-oxopropanoic 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 | 94.89% | 96.09% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 91.38% | 94.45% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 89.82% | 91.11% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 86.99% | 91.19% |
| CHEMBL2581 | P07339 | Cathepsin D | 86.03% | 98.95% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 85.86% | 99.17% |
| CHEMBL5028 | O14672 | ADAM10 | 83.46% | 97.50% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 82.89% | 97.09% |
| CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 82.39% | 94.33% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 82.31% | 95.56% |
| CHEMBL4685 | P14902 | Indoleamine 2,3-dioxygenase | 81.13% | 96.38% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 80.80% | 95.89% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 80.49% | 83.82% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 80.25% | 95.93% |
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.
| Genipa americana |
| PubChem | 12310086 |
| LOTUS | LTS0131900 |
| wikiData | Q105331684 |