Sinalbin
AlkaPlorer ID: AK000842
Synonym: '', '4-Hydroxybenzyl glucosinolate', 'p-Hydroxybenzyl glucosinolate', 'p-Hydroxybenzylglucosinolate potassium salt', 'Glucosinalbate', 'Sinalbin', 'Glucosinalbin potassium salt'
IUPAC Name: [(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] 2-(4-hydroxyphenyl)-N-sulfooxyethanimidothioate
Structure
SMILES: O=S(=O)(O)ON=C(CC1=CC=C(O)C=C1)S[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
InChI: InChI=1S/C14H19NO10S2/c16-6-9-11(18)12(19)13(20)14(24-9)26-10(15-25-27(21,22)23)5-7-1-3-8(17)4-2-7/h1-4,9,11-14,16-20H,5-6H2,(H,21,22,23)/t9-,11-,12+,13-,14+/m1/s1
InChIKey: WWBNBPSEKLOHJU-LPUQOGTASA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Sinapis alba | Sinapis | Brassicaceae | Brassicales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
| Brassica juncea | Brassica | Brassicaceae | Brassicales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 425.4370000000001
TPSA？: 186.34
MolLogP？: -1.3993
Number of H-Donors: 6
Number of H-Acceptors: 11
RingCount: 2
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|