2-Hydroxy-2-(4-hydroxyphenyl)ethyl glucosinolate; (2R)-form, 6'-O-(3-Hydroxy-4-methoxy-E-cinnamoyl)
AlkaPlorer ID: AK301254
Synonym: 6'-Isoferuloyl-4-hydroxyglucobarbarin
IUPAC Name: None
Structure
SMILES: COC1=CC=C(/C=C/C(=O)OCC2OC(S/C(CC(O)C3=CC=C(O)C=C3)=N/OS(=O)(=O)O)C(O)C(O)C2O)C=C1O
InChI: InChI=1S/C25H29NO14S2/c1-37-18-8-2-13(10-17(18)29)3-9-21(30)38-12-19-22(31)23(32)24(33)25(39-19)41-20(26-40-42(34,35)36)11-16(28)14-4-6-15(27)7-5-14/h2-10,16,19,22-25,27-29,31-33H,11-12H2,1H3,(H,34,35,36)/b9-3+,26-20+
InChIKey: GAYKPXJJOMNFFV-JDMUUHILSA-N
Reference
CAS: 1306664-20-9
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Barbarea vulgaris | Barbarea | Brassicaceae | Brassicales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 631.6340000000005
TPSA？: 242.1
MolLogP？: 0.4601999999999998
Number of H-Donors: 7
Number of H-Acceptors: 15
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|