glucolimnanthin
AlkaPlorer ID: AK017187
Synonym: '3-methoxybenzylglucosinolate', '', 'glucolimnanthin(1-)', '3-Methoxybenzyl glucosinolate', 'm-Methoxyglucotropaeolin potassium salt', 'Glucolimnathin', 'm-Methoxybenzylglucosinolate potassium salt', 'Glucolimnanthin'
IUPAC Name: [(2R,3R,4R,5S,6S)-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)S[C@H]2O[C@@H](CO)[C@@H](O)[C@@H](O)[C@H]2O)=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-/t10-,12+,13+,14+,15+/m0/s1
InChIKey: RYDIUEJGEAUJAI-CSQJYZHBSA-N
Reference
The Mustard Oil of Limnanthes douglasii Seed, m-Methoxybenzyl Isothiocyanate
PubChem CID: 172929915
LOTUS: LTS0147886
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Limnanthes douglasii | Limnanthes | Limnanthaceae | Brassicales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
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 |
|---|