3,4,5-Trimethoxybenzyl glucosinolate; 4-O-De-Me
AlkaPlorer ID: AK316677
Synonym: 4-Hydroxy-3,5-dimethoxybenzyl glucosinolate, 3,5-Dimethoxysinalbin
IUPAC Name: None
Structure
SMILES: COC1=CC(C/C(=N\OS(=O)(=O)O)SC2OC(CO)C(O)C(O)C2O)=CC(OC)=C1O
InChI: InChI=1S/C16H23NO12S2/c1-26-8-3-7(4-9(27-2)12(8)19)5-11(17-29-31(23,24)25)30-16-15(22)14(21)13(20)10(6-18)28-16/h3-4,10,13-16,18-22H,5-6H2,1-2H3,(H,23,24,25)/b17-11+
InChIKey: WDOAVZZMADWOQP-GZTJUZNOSA-N
Reference
CAS: 2095432-79-2
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Lepidium densiflorum | Lepidium | Brassicaceae | Brassicales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 485.4890000000002
TPSA？: 204.8
MolLogP？: -1.3821000000000003
Number of H-Donors: 6
Number of H-Acceptors: 13
RingCount: 2
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|