3-Methylpentyl glucosinolate
AlkaPlorer ID: AK306220
Synonym: 1-Thio-β-D-glucopyranose 1-[4-methyl-N-(sulfooxy)hexanimidate]
IUPAC Name: [3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] (1Z)-4-methyl-N-sulfooxyhexanimidothioate
Structure
SMILES: CCC(C)CC/C(=N\OS(=O)(=O)O)SC1OC(CO)C(O)C(O)C1O
InChI: InChI=1S/C13H25NO9S2/c1-3-7(2)4-5-9(14-23-25(19,20)21)24-13-12(18)11(17)10(16)8(6-15)22-13/h7-8,10-13,15-18H,3-6H2,1-2H3,(H,19,20,21)/b14-9+
InChIKey: ISQHSPNQOCVWOY-NTEUORMPSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Raphanus sativus | Raphanus | Brassicaceae | Brassicales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
| Cardamine diphylla | Cardamine | Brassicaceae | Brassicales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
| None | Japonica | Lycaenidae | Lepidoptera | Insecta | Arthropoda | Metazoa | Eukaryota |
Properties Information
Molecule Weight: 403.4750000000001
TPSA？: 166.11
MolLogP？: -0.5213000000000005
Number of H-Donors: 5
Number of H-Acceptors: 10
RingCount: 1
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|