7-Methylthioheptyl glucosinolate
AlkaPlorer ID: AK050293
Synonym: ''
IUPAC Name: [(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] (1Z)-8-methylsulfanyl-N-sulfooxyoctanimidothioate
Structure
SMILES: CSCCCCCCC/C(=N\OS(=O)(=O)O)S[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
InChI: InChI=1S/C15H29NO9S3/c1-26-8-6-4-2-3-5-7-11(16-25-28(21,22)23)27-15-14(20)13(19)12(18)10(9-17)24-15/h10,12-15,17-20H,2-9H2,1H3,(H,21,22,23)/b16-11+/t10-,12-,13+,14-,15+/m1/s1
InChIKey: SJHVRBSHKTUXLG-MFIRQCQASA-N
Reference
Updated Glucosinolate Profile of <i>Dithyrea wislizenii</i>
PubChem CID: 44237369
LOTUS: LTS0208841
SuperNatural Ⅲ: SN0347065-02
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Dimorphocarpa wislizeni | Dimorphocarpa | Brassicaceae | Brassicales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 463.5960000000001
TPSA？: 166.11
MolLogP？: 0.3559999999999995
Number of H-Donors: 5
Number of H-Acceptors: 11
RingCount: 1
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|