2-Phenylethyl glucosinolate; 6'-O-(3-Hydroxy-4-methoxy-E-cinnamoyl)
AlkaPlorer ID: AK310070
Synonym: 6-Isoferuloylgluconasturtiin
IUPAC Name: None
Structure
SMILES: COC1=CC=C(/C=C/C(=O)OCC2OC(S/C(CCC3=CC=CC=C3)=N/OS(=O)(=O)O)C(O)C(O)C2O)C=C1O
InChI: InChI=1S/C25H29NO12S2/c1-35-18-10-7-16(13-17(18)27)9-12-21(28)36-14-19-22(29)23(30)24(31)25(37-19)39-20(26-38-40(32,33)34)11-8-15-5-3-2-4-6-15/h2-7,9-10,12-13,19,22-25,27,29-31H,8,11,14H2,1H3,(H,32,33,34)/b12-9+,26-20+
InChIKey: MBRGJVOQUYMTKG-YVQXSCEWSA-N
Reference
CAS: 1306664-18-5
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Barbarea vulgaris | Barbarea | Brassicaceae | Brassicales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 599.6360000000003
TPSA？: 201.64
MolLogP？: 1.2636999999999998
Number of H-Donors: 5
Number of H-Acceptors: 13
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|