2-[(2S)-2-hydroxypentyl]-7-methoxy-4-oxochromene-5-carboxylic acid
| Internal ID | 7aa48a84-1cf6-4117-bb1b-dacc589d94d1 |
| Taxonomy | Organoheterocyclic compounds > Benzopyrans > 1-benzopyrans > Chromones |
| IUPAC Name | 2-[(2S)-2-hydroxypentyl]-7-methoxy-4-oxochromene-5-carboxylic acid |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C16H18O6/c1-3-4-9(17)5-11-7-13(18)15-12(16(19)20)6-10(21-2)8-14(15)22-11/h6-9,17H,3-5H2,1-2H3,(H,19,20)/t9-/m0/s1 |
| InChI Key | XSFAYPJLJAJJPJ-VIFPVBQESA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C16H18O6 |
| Molecular Weight | 306.31 g/mol |
| Exact Mass | 306.11033829 g/mol |
| Topological Polar Surface Area (TPSA) | 93.10 Ų |
| XlogP | 1.90 |
| There are no found synonyms. |
![2D Structure of 2-[(2S)-2-hydroxypentyl]-7-methoxy-4-oxochromene-5-carboxylic acid](https://plantaedb.com/storage/docs/compounds/2023/11/2-2s-2-hydroxypentyl-7-methoxy-4-oxochromene-5-carboxylic-acid.jpg "2D Structure of 2-[(2S)-2-hydroxypentyl]-7-methoxy-4-oxochromene-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 | 95.75% | 98.95% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 94.16% | 85.14% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 92.84% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 92.46% | 96.09% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 92.10% | 99.17% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 90.55% | 95.50% |
| CHEMBL1811 | P34995 | Prostanoid EP1 receptor | 90.02% | 95.71% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 89.12% | 94.45% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 88.53% | 86.33% |
| CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 87.68% | 93.00% |
| CHEMBL1293294 | P51151 | Ras-related protein Rab-9A | 87.52% | 87.67% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 87.33% | 95.56% |
| CHEMBL3864 | Q06124 | Protein-tyrosine phosphatase 2C | 86.06% | 94.42% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 85.62% | 94.73% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 84.54% | 90.71% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 84.09% | 91.19% |
| CHEMBL1293277 | O15118 | Niemann-Pick C1 protein | 82.34% | 81.11% |
| CHEMBL1293267 | Q9HC97 | G-protein coupled receptor 35 | 82.07% | 89.34% |
| CHEMBL1907 | P15144 | Aminopeptidase N | 81.12% | 93.31% |
| CHEMBL2535 | P11166 | Glucose transporter | 81.01% | 98.75% |
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.
| Stratiotes aloides |
| PubChem | 163044921 |
| LOTUS | LTS0045660 |
| wikiData | Q105340999 |