Norgraveoline
AlkaPlorer ID: AK125192
Synonym: ''
IUPAC Name: 2-(1,3-benzodioxol-5-yl)-1H-quinolin-4-one
Structure
SMILES: O=C1C=C(C2=CC=C3OCOC3=C2)NC2=CC=CC=C12
InChI: InChI=1S/C16H11NO3/c18-14-8-13(17-12-4-2-1-3-11(12)14)10-5-6-15-16(7-10)20-9-19-15/h1-8H,9H2,(H,17,18)
InChIKey: XZLHQSQFBBOXIY-UHFFFAOYSA-N
Reference
Alkaloids ofHaplophyllum dubium
PubChem CID: 10901503
CAS: 74054-38-9
LOTUS: LTS0123549
COCONUT: CNP0248227
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Haplophyllum griffithianum | Haplophyllum | Rutaceae | Sapindales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 265.26800000000003
TPSA？: 51.32
MolLogP？: 2.923800000000001
Number of H-Donors: 1
Number of H-Acceptors: 3
RingCount: 4
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Homo sapiens | Phosphodiesterase 10A | Inhibition | 91.0 | % | 10.1021/jm301665y |
| Homo sapiens | Phosphodiesterase 10A | Kd | 12000.0 | nM | 10.1021/jm301665y |
| None | No relevant target | Solubility | 6200.0 | nM | 10.6019/CHEMBL3301361 |