2-[6-(2H-1,3-benzodioxol-5-yl)hexyl]-1-methylquinolin-4-one
AlkaPlorer ID: AK151716
Synonym: None
IUPAC Name: 2-[6-(1,3-benzodioxol-5-yl)hexyl]-1-methylquinolin-4-one
Structure
SMILES: CN1C(CCCCCCC2=CC=C3OCOC3=C2)=CC(=O)C2=CC=CC=C21
InChI: InChI=1S/C23H25NO3/c1-24-18(15-21(25)19-10-6-7-11-20(19)24)9-5-3-2-4-8-17-12-13-22-23(14-17)27-16-26-22/h6-7,10-15H,2-5,8-9,16H2,1H3
InChIKey: NTOLOAOKRJSWIN-UHFFFAOYSA-N
Reference
Natural Fungicides from <i>Ruta graveolens</i> L. Leaves, Including a New Quinolone Alkaloid
PubChem CID: 11824628
LOTUS: LTS0041442
SuperNatural Ⅲ: SN0254911
COCONUT: CNP0296238
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Ruta graveolens | Ruta | Rutaceae | Sapindales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 363.4570000000001
TPSA？: 40.46
MolLogP？: 4.6128000000000045
Number of H-Donors: 0
Number of H-Acceptors: 4
RingCount: 4
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Botrytis cinerea | Botrytis cinerea | GI | nan | None | 10.1021/jf0259361 |
| Colletotrichum acutatum | Colletotrichum acutatum | GI | 57.0 | % | 10.1016/s1099-4831(07)64004-8 |
| Colletotrichum acutatum | Colletotrichum acutatum | GI | 57.0 | % | 10.1021/jf0259361 |
| Colletotrichum fragariae | Colletotrichum fragariae | GI | 57.0 | % | 10.1016/s1099-4831(07)64004-8 |
| Colletotrichum fragariae | Colletotrichum fragariae | GI | nan | None | 10.1021/jf0259361 |
| Colletotrichum gloeosporioides | Colletotrichum gloeosporioides | GI | 67.7 | % | 10.1016/s1099-4831(07)64004-8 |
| Colletotrichum gloeosporioides | Colletotrichum gloeosporioides | GI | 67.7 | % | 10.1021/jf0259361 |
| Diaporthe ampelina | Diaporthe ampelina | GI | nan | None | 10.1021/jf0259361 |
| Phomopsis obscurans | Phomopsis obscurans | GI | 100.0 | % | 10.1016/s1099-4831(07)64004-8 |
| Phomopsis obscurans | Phomopsis obscurans | GI | 100.0 | % | 10.1021/jf0259361 |
| Plasmopara viticola | Plasmopara viticola | GI | 100.0 | % | 10.1016/s1099-4831(07)64004-8 |