glucocleomin
AlkaPlorer ID: AK034725
Synonym: '2-Hydroxy-2-methylbutyl glucosinolate', 'Glucocleomin', '2-hydroxy-2-methylbutylglucosinolate', 'glucocleomin(1-)'
IUPAC Name: [(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] (1E,3R)-3-hydroxy-3-methyl-N-sulfooxypentanimidothioate
Structure
SMILES: CC[C@@](C)(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/C12H23NO10S2/c1-3-12(2,18)4-7(13-23-25(19,20)21)24-11-10(17)9(16)8(15)6(5-14)22-11/h6,8-11,14-18H,3-5H2,1-2H3,(H,19,20,21)/b13-7-/t6-,8-,9+,10-,11-,12-/m1/s1
InChIKey: JEOJIKMFKHSAJU-JYVKFMJLSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Capparis spinosa | Capparis | Capparaceae | Brassicales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 405.4470000000001
TPSA？: 186.34
MolLogP？: -1.7964999999999982
Number of H-Donors: 6
Number of H-Acceptors: 11
RingCount: 1
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|