UNPD132480
AlkaPlorer ID: AK554736
Synonym: None
IUPAC Name: (2S,3S,4S)-4-[(2E,4E,6R)-6-carboxyhepta-2,4-dien-2-yl]-3-(carboxymethyl)pyrrolidine-2-carboxylic acid
Structure
SMILES: C/C(=C\C=C\[C@@H](C)C(=O)O)[C@H]1CN[C@H](C(=O)O)[C@H]1CC(=O)O
InChI: InChI=1S/C15H21NO6/c1-8(4-3-5-9(2)14(19)20)11-7-16-13(15(21)22)10(11)6-12(17)18/h3-5,9-11,13,16H,6-7H2,1-2H3,(H,17,18)(H,19,20)(H,21,22)/b5-3+,8-4+/t9-,10+,11-,13+/m1/s1
InChIKey: VZFRNCSOCOPNDB-JIUSADRUSA-N
Reference
Two new isomers of domoic acid from a red alga, Chondria armata
PubChem CID: 44568340
LOTUS: LTS0245308
Source
Properties Information
Molecule Weight: 311.3340000000001
TPSA？: 123.93000000000002
MolLogP？: 0.9730999999999996
Number of H-Donors: 4
Number of H-Acceptors: 4
RingCount: 1
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Rattus norvegicus | Glutamate receptor ionotropic kainate 1 | Ki | 1.072 | nM | 10.1021/jm800092x |
| Rattus norvegicus | Glutamate receptor ionotropic kainate 1 | Ki | 1.11 | nM | 10.1021/jm800092x |
| Rattus norvegicus | Glutamate receptor ionotropic kainate 2 | Ki | 5.754 | nM | 10.1021/jm800092x |
| Rattus norvegicus | Glutamate receptor ionotropic kainate 2 | Ki | 6.04 | nM | 10.1021/jm800092x |
| Rattus norvegicus | Glutamate receptor ionotropic kainate 3 | Ki | 3.802 | nM | 10.1021/jm800092x |
| Rattus norvegicus | Glutamate receptor ionotropic kainate 3 | Ki | 3.84 | nM | 10.1021/jm800092x |
| Rattus norvegicus | Glutamate receptor ionotropic kainate 4 | Ki | 40.0 | nM | 10.1021/jm800092x |