3-[2-hydroxy-4-methoxy-5-[(1S,2S,5S)-5-methyl-4-oxo-3,6-dioxabicyclo[3.1.0]hexan-2-yl]phenyl]propanoic acid
| Internal ID | d453ff35-90bc-4a4f-8e6a-481e41728799 |
| Taxonomy | Phenylpropanoids and polyketides > Phenylpropanoic acids |
| IUPAC Name | 3-[2-hydroxy-4-methoxy-5-[(1S,2S,5S)-5-methyl-4-oxo-3,6-dioxabicyclo[3.1.0]hexan-2-yl]phenyl]propanoic acid |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C15H16O7/c1-15-13(22-15)12(21-14(15)19)8-5-7(3-4-11(17)18)9(16)6-10(8)20-2/h5-6,12-13,16H,3-4H2,1-2H3,(H,17,18)/t12-,13-,15-/m0/s1 |
| InChI Key | VOUNZKWBSKODQS-YDHLFZDLSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C15H16O7 |
| Molecular Weight | 308.28 g/mol |
| Exact Mass | 308.08960285 g/mol |
| Topological Polar Surface Area (TPSA) | 106.00 Ų |
| XlogP | 0.70 |
| There are no found synonyms. |
![2D Structure of 3-[2-hydroxy-4-methoxy-5-[(1S,2S,5S)-5-methyl-4-oxo-3,6-dioxabicyclo[3.1.0]hexan-2-yl]phenyl]propanoic acid](https://plantaedb.com/storage/docs/compounds/2023/11/f722a4b0-86a0-11ee-8566-95f5e6040886.jpg "2D Structure of 3-[2-hydroxy-4-methoxy-5-[(1S,2S,5S)-5-methyl-4-oxo-3,6-dioxabicyclo[3.1.0]hexan-2-yl]phenyl]propanoic 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 |
|---|---|---|---|---|
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 99.29% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 96.39% | 96.09% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 96.21% | 86.33% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 96.11% | 85.14% |
| CHEMBL2581 | P07339 | Cathepsin D | 92.77% | 98.95% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 92.65% | 99.17% |
| CHEMBL1255126 | O15151 | Protein Mdm4 | 89.79% | 90.20% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 89.46% | 95.56% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 86.55% | 92.62% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 85.28% | 99.15% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 85.15% | 99.23% |
| CHEMBL230 | P35354 | Cyclooxygenase-2 | 85.00% | 89.63% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 82.15% | 91.19% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 81.38% | 91.07% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 80.80% | 94.75% |
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.
| Micromelum minutum |
| PubChem | 163005548 |
| LOTUS | LTS0083020 |
| wikiData | Q105290447 |