methyl (2R,3R)-3-hydroxy-2-(2-hydroxypropan-2-yl)-2,3-dihydro-1-benzofuran-5-carboxylate
Internal ID | 851d10ff-a353-484d-9b83-6d94be772155 |
Taxonomy | Organoheterocyclic compounds > Coumarans |
IUPAC Name | methyl (2R,3R)-3-hydroxy-2-(2-hydroxypropan-2-yl)-2,3-dihydro-1-benzofuran-5-carboxylate |
SMILES (Canonical) | CC(C)(C1C(C2=C(O1)C=CC(=C2)C(=O)OC)O)O |
SMILES (Isomeric) | CC(C)([C@H]1[C@@H](C2=C(O1)C=CC(=C2)C(=O)OC)O)O |
InChI | InChI=1S/C13H16O5/c1-13(2,16)11-10(14)8-6-7(12(15)17-3)4-5-9(8)18-11/h4-6,10-11,14,16H,1-3H3/t10-,11-/m1/s1 |
InChI Key | GKOKTCIFCOZALS-GHMZBOCLSA-N |
Popularity | 0 references in papers |
Molecular Formula | C13H16O5 |
Molecular Weight | 252.26 g/mol |
Exact Mass | 252.09977361 g/mol |
Topological Polar Surface Area (TPSA) | 76.00 Ų |
XlogP | 1.20 |
There are no found synonyms. |
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 |
---|---|---|---|---|
CHEMBL1293294 | P51151 | Ras-related protein Rab-9A | 92.08% | 87.67% |
CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 88.75% | 91.11% |
CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 88.69% | 99.17% |
CHEMBL3401 | O75469 | Pregnane X receptor | 87.37% | 94.73% |
CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 86.62% | 86.33% |
CHEMBL1293277 | O15118 | Niemann-Pick C1 protein | 86.45% | 81.11% |
CHEMBL2581 | P07339 | Cathepsin D | 86.21% | 98.95% |
CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 82.70% | 85.14% |
CHEMBL4051 | P13569 | Cystic fibrosis transmembrane conductance regulator | 81.87% | 95.71% |
CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 81.50% | 96.95% |
CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 81.27% | 96.09% |
CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 80.45% | 91.07% |
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.
Piper hispidum |
PubChem | 102150110 |
LOTUS | LTS0238273 |
wikiData | Q105010170 |