5-Oxoheptyl glucosinolate
AlkaPlorer ID: AK006798
Synonym: 'Gluconorcappasalin'
IUPAC Name: [(2R,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] (1Z)-6-oxo-N-sulfooxyoctanimidothioate
Structure
SMILES: CCC(=O)CCCC/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/C14H25NO10S2/c1-2-8(17)5-3-4-6-10(15-25-27(21,22)23)26-14-13(20)12(19)11(18)9(7-16)24-14/h9,11-14,16,18-20H,2-7H2,1H3,(H,21,22,23)/b15-10+/t9-,11-,12-,13-,14-/m1/s1
InChIKey: LBZRCKIKOXEMOE-BHGVCADWSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Capparis spinosa | Capparis | Capparaceae | Brassicales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 431.4850000000001
TPSA？: 183.18
MolLogP？: -0.8080999999999994
Number of H-Donors: 5
Number of H-Acceptors: 11
RingCount: 1
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|