3,4-Dihydroxybenzyl glucosinolate; 3-Me ether
AlkaPlorer ID: AK296095
Synonym: 4-Hydroxy-3-methoxybenzyl glucosinolate, 4-Hydroxy-3-methoxyglucotropaeolin
IUPAC Name: None
Structure
SMILES: COC1=CC(C/C(=N\OS(=O)(=O)O)SC2OC(CO)C(O)C(O)C2O)=CC=C1O
InChI: InChI=1S/C15H21NO11S2/c1-25-9-4-7(2-3-8(9)18)5-11(16-27-29(22,23)24)28-15-14(21)13(20)12(19)10(6-17)26-15/h2-4,10,12-15,17-21H,5-6H2,1H3,(H,22,23,24)/b16-11+
InChIKey: VEHNETVJRDZYOL-LFIBNONCSA-N
Reference
CAS: 88162-42-9
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Brassica elongata | Brassica | Brassicaceae | Brassicales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
| Lepidium densiflorum | Lepidium | Brassicaceae | Brassicales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 455.46300000000014
TPSA？: 195.57
MolLogP？: -1.3906999999999998
Number of H-Donors: 6
Number of H-Acceptors: 12
RingCount: 2
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|