3-Indolylmethyl glucosinolate; 4-Methoxy, 6'-O-(3-hydroxy-4-methoxy-E-cinnamoyl)
AlkaPlorer ID: AK302551
Synonym: 6'-Isoferuloyl-4-methoxyglucobrassicin
IUPAC Name: None
Structure
SMILES: COC1=CC=C(/C=C/C(=O)OCC2OC(S/C(CC3=CNC4=CC=CC(OC)=C34)=N/OS(=O)(=O)O)C(O)C(O)C2O)C=C1O
InChI: InChI=1S/C27H30N2O13S2/c1-38-18-8-6-14(10-17(18)30)7-9-22(31)40-13-20-24(32)25(33)26(34)27(41-20)43-21(29-42-44(35,36)37)11-15-12-28-16-4-3-5-19(39-2)23(15)16/h3-10,12,20,24-28,30,32-34H,11,13H2,1-2H3,(H,35,36,37)/b9-7+,29-21+
InChIKey: UUPCXLCAGUUGFU-QKVVSOFNSA-N
Reference
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Barbarea vulgaris | Barbarea | Brassicaceae | Brassicales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 654.6720000000005
TPSA？: 226.66
MolLogP？: 1.3635
Number of H-Donors: 6
Number of H-Acceptors: 14
RingCount: 4
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|