6-[3-hydroxy-5-(4-hydroxy-3-methoxyphenyl)-2-oxo-4-(3-phenylprop-2-enoyl)-2,5-dihydro-1H-pyrrol-1-yl]hexanoic acid
Chemical Structure Depiction of
6-[3-hydroxy-5-(4-hydroxy-3-methoxyphenyl)-2-oxo-4-(3-phenylprop-2-enoyl)-2,5-dihydro-1H-pyrrol-1-yl]hexanoic acid
6-[3-hydroxy-5-(4-hydroxy-3-methoxyphenyl)-2-oxo-4-(3-phenylprop-2-enoyl)-2,5-dihydro-1H-pyrrol-1-yl]hexanoic acid
Compound characteristics
| Compound ID: | 4393-0094 |
| Compound Name: | 6-[3-hydroxy-5-(4-hydroxy-3-methoxyphenyl)-2-oxo-4-(3-phenylprop-2-enoyl)-2,5-dihydro-1H-pyrrol-1-yl]hexanoic acid |
| Molecular Weight: | 465.5 |
| Molecular Formula: | C26 H27 N O7 |
| Smiles: | COc1cc(ccc1O)C1C(=C(C(N1CCCCCC(O)=O)=O)O)C(/C=C/c1ccccc1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.6023 |
| logD: | -0.2259 |
| logSw: | -2.8036 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 97.147 |
| InChI Key: | KDTJYVNCZPNRAZ-DEOSSOPVSA-N |