3-Hydroxybenzyl glucosinolate; Me ether
AlkaPlorer ID: AK300879
Synonym: 3-Methoxybenzyl glucosinolate, 3-Methoxyglucotropaeolin, Glucolimnanthin
IUPAC Name: [3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] (1E)-2-(3-methoxyphenyl)-N-sulfooxyethanimidothioate
Structure
SMILES: COC1=CC=CC(C/C(=N/OS(=O)(=O)O)SC2OC(CO)C(O)C(O)C2O)=C1
InChI: InChI=1S/C15H21NO10S2/c1-24-9-4-2-3-8(5-9)6-11(16-26-28(21,22)23)27-15-14(20)13(19)12(18)10(7-17)25-15/h2-5,10,12-15,17-20H,6-7H2,1H3,(H,21,22,23)/b16-11-
InChIKey: RYDIUEJGEAUJAI-WJDWOHSUSA-N
Source
Properties Information
Molecule Weight: 439.4640000000001
TPSA？: 175.34
MolLogP？: -1.0962999999999998
Number of H-Donors: 5
Number of H-Acceptors: 11
RingCount: 2
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|