3,4-Dihydroxybenzyl glucosinolate; Di-Me ether
AlkaPlorer ID: AK296094
Synonym: 3,4-Dimethoxybenzyl glucosinolate, 3,4-Dimethoxyglucotropaeolin, Veratryl glucosinolate
IUPAC Name: None
Structure
SMILES: COC1=CC=C(C/C(=N\OS(=O)(=O)O)SC2OC(CO)C(O)C(O)C2O)C=C1OC
InChI: InChI=1S/C16H23NO11S2/c1-25-9-4-3-8(5-10(9)26-2)6-12(17-28-30(22,23)24)29-16-15(21)14(20)13(19)11(7-18)27-16/h3-5,11,13-16,18-21H,6-7H2,1-2H3,(H,22,23,24)/b17-12+
InChIKey: QSRPUECPQQYEBY-SFQUDFHCSA-N
Reference
CAS: 88162-43-0
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Brassica elongata | Brassica | Brassicaceae | Brassicales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
| Heliophila longifolia | Heliophila | Brassicaceae | Brassicales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
| Lepidium densiflorum | Lepidium | Brassicaceae | Brassicales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 469.4900000000002
TPSA？: 184.57
MolLogP？: -1.0876999999999994
Number of H-Donors: 5
Number of H-Acceptors: 12
RingCount: 2
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|