2-Hydroxybenzyl glucosinolate
AlkaPlorer ID: AK300876
Synonym: 1-Thio-β-D-glucopyranose 1-[2-hydroxy-N-(sulfooxy)benzeneethanimidate], 2-Hydroxyglucotropaeolin, Isoglucosinalbin, Orthosinalbin
IUPAC Name: None
Structure
SMILES: O=S(=O)(O)O/N=C(\CC1=CC=CC=C1O)SC1OC(CO)C(O)C(O)C1O
InChI: InChI=1S/C14H19NO10S2/c16-6-9-11(18)12(19)13(20)14(24-9)26-10(15-25-27(21,22)23)5-7-3-1-2-4-8(7)17/h1-4,9,11-14,16-20H,5-6H2,(H,21,22,23)/b15-10+
InChIKey: PIOITMLHJRSLJC-XNTDXEJSSA-N
Reference
CAS: 666235-39-8
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Reseda odorata | Reseda | Resedaceae | Brassicales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 425.4370000000001
TPSA？: 186.34
MolLogP？: -1.3993
Number of H-Donors: 6
Number of H-Acceptors: 11
RingCount: 2
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|