2-[4-(2H-1,3-benzodioxol-5-yl)butyl]-1,4-dihydroquinolin-4-one
AlkaPlorer ID: AK020360
Synonym: None
IUPAC Name: 2-[4-(1,3-benzodioxol-5-yl)butyl]-1H-quinolin-4-one
Structure
SMILES: O=C1C=C(CCCCC2=CC=C3OCOC3=C2)NC2=CC=CC=C12
InChI: InChI=1S/C20H19NO3/c22-18-12-15(21-17-8-4-3-7-16(17)18)6-2-1-5-14-9-10-19-20(11-14)24-13-23-19/h3-4,7-12H,1-2,5-6,13H2,(H,21,22)
InChIKey: WVIITJBBQPBPEB-UHFFFAOYSA-N
Reference
Natural Fungicides from <i>Ruta graveolens</i> L. Leaves, Including a New Quinolone Alkaloid
PubChem CID: 6325654
LOTUS: LTS0066375
COCONUT: CNP0177519
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Ruta graveolens | Ruta | Rutaceae | Sapindales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 321.3760000000001
TPSA？: 51.32
MolLogP？: 3.822200000000002
Number of H-Donors: 1
Number of H-Acceptors: 3
RingCount: 4
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Botrytis cinerea | Botrytis cinerea | GI | nan | None | 10.1021/jf0259361 |
| Diaporthe ampelina | Diaporthe ampelina | GI | nan | None | 10.1021/jf0259361 |
| Phomopsis obscurans | Phomopsis obscurans | GI | 100.0 | % | 10.1021/jf0259361 |