glucoiberin
AlkaPlorer ID: AK021057
Synonym: '3-(Methylsulfinyl)propylglucosinolate potassium salt', '3-methylsulfinylpropylglucosinolate', '3-Methylsulfinylpropyl glucosinolate', 'beta-D-Glucopyranose, 1-thio-, 1-(4-(methylsulfinyl)-N-(sulfooxy)butanimidate)', 'Glucoiberin'
IUPAC Name: [(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] (1E)-4-[(S)-methylsulfinyl]-N-sulfooxybutanimidothioate
Structure
SMILES: C[S@](=O)CCC/C(=N/OS(=O)(=O)O)S[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
InChI: InChI=1S/C11H21NO10S3/c1-24(17)4-2-3-7(12-22-25(18,19)20)23-11-10(16)9(15)8(14)6(5-13)21-11/h6,8-11,13-16H,2-5H2,1H3,(H,18,19,20)/b12-7-/t6-,8-,9+,10-,11+,24+/m1/s1
InChIKey: PHYYADMVYQURSX-OLVZVOKISA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Iberis amara | Iberis | Brassicaceae | Brassicales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 423.48700000000014
TPSA？: 183.18
MolLogP？: -2.188899999999997
Number of H-Donors: 5
Number of H-Acceptors: 11
RingCount: 1
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|