3,4,5-Trimethoxybenzyl glucosinolate
AlkaPlorer ID: AK046462
Synonym: ''
IUPAC Name: [(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] (1Z)-N-sulfooxy-2-(3,4,5-trimethoxyphenyl)ethanimidothioate
Structure
SMILES: COC1=CC(C/C(=N\OS(=O)(=O)O)S[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)=CC(OC)=C1OC
InChI: InChI=1S/C17H25NO12S2/c1-26-9-4-8(5-10(27-2)16(9)28-3)6-12(18-30-32(23,24)25)31-17-15(22)14(21)13(20)11(7-19)29-17/h4-5,11,13-15,17,19-22H,6-7H2,1-3H3,(H,23,24,25)/b18-12+/t11-,13-,14+,15-,17-/m1/s1
InChIKey: MFHPGRSZZURBST-ZLWIGSGNSA-N
Reference
3,4,5-Trimethoxybenzylglucosinolate: A constituent of Lepidium sordidum
PubChem CID: 172920311
LOTUS: LTS0001479
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Lepidium hyssopifolium | Lepidium | Brassicaceae | Brassicales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 499.51600000000025
TPSA？: 193.8
MolLogP？: -1.079099999999999
Number of H-Donors: 5
Number of H-Acceptors: 13
RingCount: 2
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|