Trigonelline
AlkaPlorer ID: AK000939
Synonym: ''
IUPAC Name: 1-methyl-2H-pyridine-3-carboxylic acid
Structure
SMILES: CN1C=CC=C(C(=O)O)C1
InChI: InChI=1S/C7H9NO2/c1-8-4-2-3-6(5-8)7(9)10/h2-4H,5H2,1H3,(H,9,10)
InChIKey: YCABHAGDPZAUBJ-UHFFFAOYSA-N
Reference
PubChem CID: 162809553
CAS: 535-83-1
LOTUS: LTS0062215
SuperNatural Ⅲ: SN0446222
COCONUT: CNP0054252
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Trigonella foenum-graecum | Trigonella | Fabaceae | Fabales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 139.15399999999997
TPSA？: 40.540000000000006
MolLogP？: 0.4564999999999999
Number of H-Donors: 1
Number of H-Acceptors: 2
RingCount: 1
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|