3,4-Dimethoxybenzaldehyde N-(3,4-dimethoxybenzoyl)hydrazone
AlkaPlorer ID: AK296538
Synonym: 3,4-Dimethoxybenzoic acid [(3,4-dimethoxyphenyl)methylene]hydrazide, 3,4-Dimethoxybenzoic acid 3,4-dimethoxybenzylidenehydrazide, Veratrylidenehydrazide
IUPAC Name: N-[(Z)-(3,4-dimethoxyphenyl)methylideneamino]-3,4-dimethoxybenzamide
Structure
SMILES: COC1=CC=C(/C=N/N=C(O)C2=CC=C(OC)C(OC)=C2)C=C1OC
InChI: InChI=1S/C18H20N2O5/c1-22-14-7-5-12(9-16(14)24-3)11-19-20-18(21)13-6-8-15(23-2)17(10-13)25-4/h5-11H,1-4H3,(H,20,21)/b19-11+
InChIKey: NMAFOTFIMHUMSK-YBFXNURJSA-N
Reference
Potential agrochemicals from leaves of Wedelia biflora
PubChem CID: 6898813
CAS: 102017-12-9
LOTUS: LTS0019829
SuperNatural Ⅲ: SN0249178-01
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| None | Wedelia | Asteraceae | Asterales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 344.36700000000013
TPSA?: 81.87000000000002
MolLogP?: 3.059700000000001
Number of H-Donors: 1
Number of H-Acceptors: 6
RingCount: 2
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Agaricus bisporus | Tyrosinase | IC50 | 50000.0 | nM | 10.1016/j.bmc.2019.04.016 |
| Agaricus bisporus | Tyrosinase | Inhibition | 13.37 | % | 10.1016/j.bmc.2019.04.016 |
| Aspergillus niger | Aspergillus niger | -logMIC | 2.04 | None | 10.1016/j.ejmech.2008.10.034 |
| Bacillus subtilis | Bacillus subtilis | -logMIC | 2.34 | None | 10.1016/j.ejmech.2008.10.034 |
| Candida albicans | Candida albicans | -logMIC | 1.74 | None | 10.1016/j.ejmech.2008.10.034 |
| Escherichia coli | Escherichia coli | -logMIC | 2.64 | None | 10.1016/j.ejmech.2008.10.034 |
| Staphylococcus aureus | Staphylococcus aureus | -logMIC | 2.07 | None | 10.1016/j.ejmech.2008.10.034 |
| None | No relevant target | EC50 | 1000000.0 | nM | 10.1016/j.bmc.2019.04.016 |
| None | No relevant target | LogP | 2.42 | None | 10.1016/j.ejmech.2008.10.034 |
| None | Unchecked | IC50 | nan | None | 10.1021/jm300514y |
| None | Unchecked | Inhibition | 10.7 | % | 10.1021/jm300514y |
