3-Indolylmethyl glucosinolate; 6'-O-(3-Hydroxy-4-methoxy-E-cinnamoyl)
AlkaPlorer ID: AK302548
Synonym: 6-Isoferuloylglucobrassicin
IUPAC Name: None
Structure
SMILES: COC1=CC=C(/C=C/C(=O)OCC2OC(S/C(CC3=CNC4=CC=CC=C34)=N/OS(=O)(=O)O)C(O)C(O)C2O)C=C1O
InChI: InChI=1S/C26H28N2O12S2/c1-37-19-8-6-14(10-18(19)29)7-9-22(30)38-13-20-23(31)24(32)25(33)26(39-20)41-21(28-40-42(34,35)36)11-15-12-27-17-5-3-2-4-16(15)17/h2-10,12,20,23-27,29,31-33H,11,13H2,1H3,(H,34,35,36)/b9-7+,28-21+
InChIKey: XSWTZNNEGFJBRX-YHALGARDSA-N
Reference
CAS: 1306664-22-1
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Barbarea vulgaris | Barbarea | Brassicaceae | Brassicales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 624.6460000000004
TPSA？: 217.42999999999995
MolLogP？: 1.3548999999999995
Number of H-Donors: 6
Number of H-Acceptors: 13
RingCount: 4
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|