Molecule

1-Methylpropyl glucosinolate

AlkaPlorer ID: AK306269

Synonym: 1-Thio-β-D-glucopyranose 1-[2-methyl-N-(sulfooxy)butanimidate], sec-Butyl glucosinolate, Glucocochlearin

IUPAC Name: [3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] (1Z)-2-methyl-N-sulfooxybutanimidothioate

SMILES: CCC(C)/C(=N\OS(=O)(=O)O)SC1OC(CO)C(O)C(O)C1O

InChI: InChI=1S/C11H21NO9S2/c1-3-5(2)10(12-21-23(17,18)19)22-11-9(16)8(15)7(14)6(4-13)20-11/h5-9,11,13-16H,3-4H2,1-2H3,(H,17,18,19)/b12-10+

InChIKey: TUSWQPFNQXCPGB-ZRDIBKRKSA-N

CAS: 499-24-1

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain
Cochlearia officinalis	Cochlearia	Brassicaceae	Brassicales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Capparis mitchellii	Capparis	Capparaceae	Brassicales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
None	Capparis	Capparaceae	Brassicales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Cardamine pratensis	Cardamine	Brassicaceae	Brassicales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
None	Draba	Brassicaceae	Brassicales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
None	Brassica	Brassicaceae	Brassicales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Putranjiva roxburghii	Putranjiva	Putranjivaceae	Malpighiales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Brassica napus	Brassica	Brassicaceae	Brassicales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota

Molecule Weight: 375.4210000000001

TPSA？: 166.11

MolLogP？: -1.3015

Number of H-Donors: 5

Number of H-Acceptors: 10

RingCount: 1

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi