3-Hydroxybenzyl glucosinolate
AlkaPlorer ID: AK300878
Synonym: 1-Thio-β-D-glucopyranose 1-[3-hydroxy-N-(sulfooxy)benzeneethanimidate], 3-Hydroxyglucotropaeolin, Glucolepigramin
IUPAC Name: None
Structure
SMILES: O=S(=O)(O)O/N=C(/CC1=CC=CC(O)=C1)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)5-7-2-1-3-8(17)4-7/h1-4,9,11-14,16-20H,5-6H2,(H,21,22,23)/b15-10-
InChIKey: NHGGOERHNDJFBY-GDNBJRDFSA-N
Reference
CAS: 59204-64-7
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Reseda media | 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 |
|---|