3-Methylpentyl glucosinolate; 6-Hydroxy
AlkaPlorer ID: AK306221
Synonym: 3-(Hydroxymethyl)pentyl glucosinolate
IUPAC Name: None
Structure
SMILES: CCC(CO)CC/C(=N\OS(=O)(=O)O)SC1OC(CO)C(O)C(O)C1O
InChI: InChI=1S/C13H25NO10S2/c1-2-7(5-15)3-4-9(14-24-26(20,21)22)25-13-12(19)11(18)10(17)8(6-16)23-13/h7-8,10-13,15-19H,2-6H2,1H3,(H,20,21,22)/b14-9+
InChIKey: LBFMFUWDOVOBRT-NTEUORMPSA-N
Reference
CAS: 1220999-45-0
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Cardamine pratensis | Cardamine | Brassicaceae | Brassicales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 419.4740000000001
TPSA？: 186.34
MolLogP？: -1.5488999999999984
Number of H-Donors: 6
Number of H-Acceptors: 11
RingCount: 1
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|