2,4-Dihydroxy-3-pyridinecarboxylic acid; 4-Me ether, nitrile
AlkaPlorer ID: AK018729
Synonym: 1,2-Dihydro-4-methoxy-2-oxo-3-pyridinecarbonitrile, 3-Cyano-4-methoxy-2-pyridone, 3-Cyano-2-hydroxy-4-methoxypyridine, N-Demethylricinine
IUPAC Name: 4-methoxy-2-oxo-1H-pyridine-3-carbonitrile
Structure
SMILES: COC1=CC=NC(O)=C1C#N
InChI: InChI=1S/C7H6N2O2/c1-11-6-2-3-9-7(10)5(6)4-8/h2-3H,1H3,(H,9,10)
InChIKey: MWGIDWPSRDMIQN-UHFFFAOYSA-N
Reference
PubChem CID: 2786702
CAS: 21642-98-8
LOTUS: LTS0182439
NPASS: NPC202967
COCONUT: CNP0396414
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Ricinus communis | Ricinus | Euphorbiaceae | Malpighiales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
| Psidium guajava | Psidium | Myrtaceae | Myrtales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
| Codonopsis pilosula | Codonopsis | Campanulaceae | Asterales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 150.137
TPSA？: 66.14
MolLogP？: 0.6674799999999999
Number of H-Donors: 1
Number of H-Acceptors: 4
RingCount: 1
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Homo sapiens | Induced myeloid leukemia cell differentiation protein Mcl-1 | IC50 | None | None | 10.1016/j.ejmech.2012.12.016 |
| Homo sapiens | Induced myeloid leukemia cell differentiation protein Mcl-1 | Ki | None | None | 10.1016/j.ejmech.2012.12.016 |