2-(7-hydroxy-2H-1,3-benzodioxol-5-yl)-1-methylquinolin-4-one
AlkaPlorer ID: AK251551
Synonym: None
IUPAC Name: 2-(7-hydroxy-1,3-benzodioxol-5-yl)-1-methylquinolin-4-one
Structure
SMILES: CN1C(C2=CC(O)=C3OCOC3=C2)=CC(=O)C2=CC=CC=C21
InChI: InChI=1S/C17H13NO4/c1-18-12-5-3-2-4-11(12)14(19)8-13(18)10-6-15(20)17-16(7-10)21-9-22-17/h2-8,20H,9H2,1H3
InChIKey: GUHRVGVHRCXTBP-UHFFFAOYSA-N
Reference
Alkaloids and coumarins from Ruta chalepensis
PubChem CID: 162879375
LOTUS: LTS0152971
SuperNatural Ⅲ: SN0115545
COCONUT: CNP0144948
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Ruta chalepensis | Ruta | Rutaceae | Sapindales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 295.294
TPSA？: 60.690000000000005
MolLogP？: 2.639800000000001
Number of H-Donors: 1
Number of H-Acceptors: 5
RingCount: 4
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|