Wasalexin A
AlkaPlorer ID: AK317870
Synonym: None
IUPAC Name: (3E)-3-[[bis(methylsulfanyl)methylideneamino]methylidene]-1-methoxyindol-2-one
Structure
SMILES: CON1C(=O)/C(=C/N=C(SC)SC)C2=C1C=CC=C2
InChI: InChI=1S/C13H14N2O2S2/c1-17-15-11-7-5-4-6-9(11)10(12(15)16)8-14-13(18-2)19-3/h4-8H,1-3H3/b10-8+
InChIKey: JJQPWCPYNJNWID-CSKARUKUSA-N
Reference
Wasalexins A and B, new phytoalexins from wasabi: Isolation, synthesis, and antifungal activity
PubChem CID: 44333108
LOTUS: LTS0184843
SuperNatural Ⅲ: SN0167255-02
NPASS: NPC187231
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Thlaspi arvense | Thlaspi | Brassicaceae | Brassicales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
| None | Japonica | Lycaenidae | Lepidoptera | Insecta | Arthropoda | Metazoa | Eukaryota |
Properties Information
Molecule Weight: 294.40099999999995
TPSA？: 41.9
MolLogP？: 3.017500000000002
Number of H-Donors: 0
Number of H-Acceptors: 5
RingCount: 2
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Plenodomus lingam | Plenodomus lingam | Inhibition | 50.0 | % | 10.1016/s0960-894x(99)00523-5 |