3-(2-carboxylatoethyl)-1,4-dimethylpyridin-1-ium
AlkaPlorer ID: AK036784
Synonym: None
IUPAC Name: 3-(1,4-dimethylpyridin-1-ium-3-yl)propanoate
Structure
SMILES: CC1=CC=[N+](C)C=C1CCC(=O)[O-]
InChI: InChI=1S/C10H13NO2/c1-8-5-6-11(2)7-9(8)3-4-10(12)13/h5-7H,3-4H2,1-2H3
InChIKey: GOOKIFCKRCPTIL-UHFFFAOYSA-N
Reference
Sulcatine, a norsesquiterpene from the fungus Laurilia sulcata
PubChem CID: 10329907
LOTUS: LTS0079509
SuperNatural Ⅲ: SN0111258
COCONUT: CNP0429204
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|
Properties Information
Molecule Weight: 179.21899999999997
TPSA？: 44.01
MolLogP？: -0.4979800000000003
Number of H-Donors: 0
Number of H-Acceptors: 2
RingCount: 1
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Mus musculus | J774 | Activity | None | None | 10.1021/np990513n |
| Mus musculus | WEHI | Activity | None | None | 10.1021/np990513n |