Peyonine
Representations & DB's id
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| ChEBI: | None | |
|---|---|---|
| ChEMBL: | CHEMBL455359 | |
| PubChem: | 602258 | |
| IUPAC: | 1-[2-(3,4,5-trimethoxyphenyl)ethyl]pyrrole-2-carboxylic acid | |
| Standard InChI: | InChI=1S/C16H19NO5/c1-20-13-9-11(10-14(21-2)15(13)22-3)6-8-17-7-4-5-12(17)16(18)19/h4-5,7,9-10H,6,8H2,1-3H3,(H,18,19) | |
| Standard InChI Key: | DDYNENGLSGKEPO-UHFFFAOYSA-N | |
| SMILES: | COc1cc(CCn2cccc2C(=O)O)cc(c1OC)OC | |
Molecular propeties
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| AlogP: | 2.45 | |
|---|---|---|
| Hydrogen bonds acceptors: | 5 | |
| Hydrogen bonds donors: | 1 | |
| Rotatable bonds: | 7 | |
| Number of rings: | 2 | |
| Molecular Weight: | 305.13 | |
| Topological polar surface area: | 69.9 | |
| Number of aromatic rings: | 2 | |
| Fsp3: | 0.312 | |
| Number of carbons: | 16 | |
In vitro data
| Activity Type | Activity Value | Target Name | UniProt ID | Ref. |
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