Pyrrolezanthine
Representations & DB's id
| ||
| ChEBI: | None | |
|---|---|---|
| ChEMBL: | CHEMBL3357678 | |
| PubChem: | 636825 | |
| IUPAC: | 5-(hydroxymethyl)-1-[2-(4-hydroxyphenyl)ethyl]pyrrole-2-carbaldehyde | |
| Standard InChI: | InChI=1S/C14H15NO3/c16-9-12-3-4-13(10-17)15(12)8-7-11-1-5-14(18)6-2-11/h1-6,9,17-18H,7-8,10H2 | |
| Standard InChI Key: | KPSZYAMCIRWUTK-UHFFFAOYSA-N | |
| SMILES: | OCc1ccc(n1CCc1ccc(cc1)O)C=O | |
Molecular propeties
| ||
| AlogP: | 1.74 | |
|---|---|---|
| Hydrogen bonds acceptors: | 4 | |
| Hydrogen bonds donors: | 2 | |
| Rotatable bonds: | 5 | |
| Number of rings: | 2 | |
| Molecular Weight: | 245.11 | |
| Topological polar surface area: | 62.5 | |
| Number of aromatic rings: | 2 | |
| Fsp3: | 0.214 | |
| Number of carbons: | 14 | |
In vitro data
| Activity Type | Activity Value | Target Name | UniProt ID | Ref. |
|---|