Phenopicolinic acid
AlkaPlorer ID: AK039383
Synonym: '', 'Phenopicolinic acid'
IUPAC Name: 5-[(4-hydroxyphenyl)methyl]pyridine-2-carboxylic acid
Structure
SMILES: O=C(O)C1=CC=C(CC2=CC=C(O)C=C2)C=N1
InChI: InChI=1S/C13H11NO3/c15-11-4-1-9(2-5-11)7-10-3-6-12(13(16)17)14-8-10/h1-6,8,15H,7H2,(H,16,17)
InChIKey: SJBFZHNCSGBLEK-UHFFFAOYSA-N
Reference
Phenopicolinic acid, a new microbial product inhibiting dopamine .BETA.-hydroxylase.
PubChem CID: 3043792
CAS: 56153-30-1
LOTUS: LTS0072694
SuperNatural Ⅲ: SN0346844
COCONUT: CNP0210937
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| None | None | Clavicipitaceae | Hypocreales | Sordariomycetes | Ascomycota | Fungi | Eukaryota |
Properties Information
Molecule Weight: 229.235
TPSA？: 70.42
MolLogP？: 2.0762
Number of H-Donors: 2
Number of H-Acceptors: 3
RingCount: 2
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Bos taurus | Dopamine beta-hydroxylase | IC50 | 39.0 | nM | 10.1016/j.bmc.2020.115820 |
| Rattus norvegicus | Rattus norvegicus | Activity | 16.0 | % | 10.1016/j.bmc.2020.115820 |
| Rattus norvegicus | Rattus norvegicus | Activity | 21.0 | % | 10.1016/j.bmc.2020.115820 |
| Rattus norvegicus | Rattus norvegicus | Activity | 23.0 | % | 10.1016/j.bmc.2020.115820 |
| None | ADMET | LD50 | 350.0 | mg.kg-1 | 10.1016/j.bmc.2020.115820 |