Triglochinin
AlkaPlorer ID: AK020230
Synonym: '2-Hexenedioic acid,4-(cyano(beta-D-glucopyranosyloxy)methylene)-, (E,Z)-', 'Triglochinin'
IUPAC Name: (Z,4E)-4-[cyano-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethylidene]hex-2-enedioic acid
Structure
SMILES: N#C/C(O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)=C(\C=C/C(=O)O)CC(=O)O
InChI: InChI=1S/C14H17NO10/c15-4-7(6(3-10(19)20)1-2-9(17)18)24-14-13(23)12(22)11(21)8(5-16)25-14/h1-2,8,11-14,16,21-23H,3,5H2,(H,17,18)(H,19,20)/b2-1-,7-6-/t8-,11-,12+,13-,14-/m1/s1
InChIKey: LABCALMTQNDOAI-PKNBYVPASA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Triglochin maritima | Triglochin | Juncaginaceae | Alismatales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 359.28700000000015
TPSA？: 197.77
MolLogP？: -2.30392
Number of H-Donors: 6
Number of H-Acceptors: 9
RingCount: 1
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|