4-[2-formyl-5-(hydroxymethyl)pyrrol-1-yl]butanoic acid
AlkaPlorer ID: AK046634
Synonym: None
IUPAC Name: 4-[2-formyl-5-(hydroxymethyl)pyrrol-1-yl]butanoic acid
Structure
SMILES: O=CC1=CC=C(CO)N1CCCC(=O)O
InChI: InChI=1S/C10H13NO4/c12-6-8-3-4-9(7-13)11(8)5-1-2-10(14)15/h3-4,6,13H,1-2,5,7H2,(H,14,15)
InChIKey: WNNGLHOQCHCQFK-UHFFFAOYSA-N
Reference
Macrophage activating activity of pyrrole alkaloids from Morus alba fruits
PubChem CID: 10198218
LOTUS: LTS0267573
SuperNatural Ⅲ: SN0415029
COCONUT: CNP0196111
data_source: manually
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Iris spuria | Iris | Iridaceae | Asparagales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 211.217
TPSA？: 79.53
MolLogP？: 0.6577
Number of H-Donors: 2
Number of H-Acceptors: 4
RingCount: 1
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Rattus norvegicus | Rattus norvegicus | Relative protection | 3.2 | % | 10.1016/s0960-894x(02)00846-6 |
| Rattus norvegicus | Rattus norvegicus | Relative protection | 12.4 | % | 10.1016/s0960-894x(02)00846-6 |
| Rattus norvegicus | Rattus norvegicus | Relative protection | 39.7 | % | 10.1016/s0960-894x(02)00846-6 |
| Rattus norvegicus | Rattus norvegicus | Relative protection | 64.4 | % | 10.1016/s0960-894x(02)00846-6 |