3-Indolylmethyl glucosinolate; N,4-Dimethoxy, 6'-O-(3-hydroxy-4-methoxy-E-cinnamoyl)
AlkaPlorer ID: AK302546
Synonym: 6-Isoferuloyl-1,4-dimethoxyglucobrassicin
IUPAC Name: None
Structure
SMILES: COC1=CC=C(/C=C/C(=O)OCC2OC(S/C(CC3=CN(OC)C4=CC=CC(OC)=C34)=N/OS(=O)(=O)O)C(O)C(O)C2O)C=C1O
InChI: InChI=1S/C28H32N2O14S2/c1-39-19-9-7-15(11-18(19)31)8-10-23(32)42-14-21-25(33)26(34)27(35)28(43-21)45-22(29-44-46(36,37)38)12-16-13-30(41-3)17-5-4-6-20(40-2)24(16)17/h4-11,13,21,25-28,31,33-35H,12,14H2,1-3H3,(H,36,37,38)/b10-8+,29-22+
InChIKey: DUHZBQAADQZAAL-ZPOPOSBYSA-N
Reference
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Barbarea vulgaris | Barbarea | Brassicaceae | Brassicales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 684.6980000000005
TPSA？: 225.03
MolLogP？: 0.8952999999999995
Number of H-Donors: 5
Number of H-Acceptors: 16
RingCount: 4
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|