4-[(1E)-2-{[2-(3,4-dihydroxyphenyl)ethyl]amino}ethenyl]-2,3-dihydropyridine-2,6-dicarboxylic acid
AlkaPlorer ID: AK001528
Synonym: None
IUPAC Name: None
Structure
SMILES: O=C(O)C1=N[C@H](C(=O)O)CC(/C=C/NCCC2=CC([O-])=C([O-])C=C2)=C1
InChI: InChI=1S/C17H18N2O6/c20-14-2-1-10(9-15(14)21)3-5-18-6-4-11-7-12(16(22)23)19-13(8-11)17(24)25/h1-2,4,6-7,9,13,18,20-21H,3,5,8H2,(H,22,23)(H,24,25)/p-2/b6-4+/t13-/m0/s1
InChIKey: OBOHVTYKFOAOLV-BPJJOFIESA-L
Reference
NPASS: NPC73921
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Ardisia japonica | Ardisia | Primulaceae | Ericales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
| Mirabilis jalapa | Mirabilis | Nyctaginaceae | Caryophyllales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 344.3230000000001
TPSA？: 145.11
MolLogP？: -0.2115
Number of H-Donors: 3
Number of H-Acceptors: 6
RingCount: 2
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|