neoglucobrassicin
AlkaPlorer ID: AK021331
Synonym: 'MIMG', '1-Methoxy-3-indolylmethyl glucosinolate', '1-Methoxy-3-indolylmethylglucosinolate', '1-methoxyindol-3-ylmethylglucosinolate', 'Neoglucobrassicin'
IUPAC Name: [(2R,3S,4R,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] (1E)-2-(1-methoxyindol-3-yl)-N-sulfooxyethanimidothioate
Structure
SMILES: CON1C=C(C/C(=N/OS(=O)(=O)O)S[C@H]2O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)C2=CC=CC=C21
InChI: InChI=1S/C17H22N2O10S2/c1-27-19-7-9(10-4-2-3-5-11(10)19)6-13(18-29-31(24,25)26)30-17-16(23)15(22)14(21)12(8-20)28-17/h2-5,7,12,14-17,20-23H,6,8H2,1H3,(H,24,25,26)/b18-13-/t12-,14-,15+,16-,17+/m0/s1
InChIKey: PKKMITFKYRCCOL-QJWDOSIMSA-N
Reference
Novel indole-type glucosinolates from woad (Isatis tinctoria L.)
PubChem CID: 172947857
LOTUS: LTS0040018
SuperNatural Ⅲ: SN0287793-06
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Isatis tinctoria | Isatis | Brassicaceae | Brassicales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 478.50100000000015
TPSA？: 180.27
MolLogP？: -1.091799999999998
Number of H-Donors: 5
Number of H-Acceptors: 12
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|