2-Hydroxyethyl glucosinolate; Benzoyl
AlkaPlorer ID: AK301101
Synonym: 2-(Benzoyloxy)ethyl glucosinolate
IUPAC Name: None
Structure
SMILES: O=C(OCC/C(=N\OS(=O)(=O)O)SC1OC(CO)C(O)C(O)C1O)C1=CC=CC=C1
InChI: InChI=1S/C16H21NO11S2/c18-8-10-12(19)13(20)14(21)16(27-10)29-11(17-28-30(23,24)25)6-7-26-15(22)9-4-2-1-3-5-9/h1-5,10,12-14,16,18-21H,6-8H2,(H,23,24,25)/b17-11+
InChIKey: JKHKWVKBTQLCQP-GZTJUZNOSA-N
Reference
CAS: 857383-48-3
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Moricandia arvensis | Moricandia | Brassicaceae | Brassicales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
| Arabidopsis thaliana | Arabidopsis | Brassicaceae | Brassicales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 467.47400000000016
TPSA？: 192.41
MolLogP？: -1.100499999999999
Number of H-Donors: 5
Number of H-Acceptors: 12
RingCount: 2
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|