epi-progoitrin
AlkaPlorer ID: AK002135
Synonym: '2(S)-2-Hydroxy-3-butenyl glucosinolate', 'progoitrin', '2(R)-2-Hydroxy 3-butenyl glucosinolate', '(S)-2-hydroxy-but-3-enyl-glucosinolate', '2(R)-2-hydroxy-3-butenyl glucosinolate', 'Epiprogoitrin', '2(S)-Hydroxy 3-butenylglucosinolate potassium salt', 'Glucorapiferin potassium salt', '(2S)-2-hydroxy-3-butenyl glucosinolate', '2(R)-Hydroxy 3-butenylglucosinolate potassium salt', 'Progoitrin', 'glucorapiferin'
IUPAC Name: [(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] (1E,3S)-3-hydroxy-N-sulfooxypent-4-enimidothioate
Structure
SMILES: C=C[C@@H](O)C/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/C11H19NO10S2/c1-2-5(14)3-7(12-22-24(18,19)20)23-11-10(17)9(16)8(15)6(4-13)21-11/h2,5-6,8-11,13-17H,1,3-4H2,(H,18,19,20)/b12-7-/t5-,6-,8-,9+,10-,11+/m1/s1
InChIKey: MYHSVHWQEVDFQT-KBHNZSCUSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Persicaria tinctoria | Persicaria | Polygonaceae | Caryophyllales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 389.40400000000005
TPSA？: 186.34
MolLogP？: -2.410599999999999
Number of H-Donors: 6
Number of H-Acceptors: 11
RingCount: 1
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|