Phyto4Health

Gamma-Fagarine

Representations & DB's id
ChEBI: CHEBI:10562
ChEMBL: CHEMBL252925
PubChem: 107936
IUPAC: 4,8-dimethoxyfuro[2,3-b]quinoline
Standard InChI: InChI=1S/C13H11NO3/c1-15-10-5-3-4-8-11(10)14-13-9(6-7-17-13)12(8)16-2/h3-7H,1-2H3
Standard InChI Key: KFBCTNNQFGONHB-UHFFFAOYSA-N
SMILES: COc1cccc2c1nc1occc1c2OC

Molecular propeties
AlogP: 3
Hydrogen bonds acceptors: 4
Hydrogen bonds donors: 0
Rotatable bonds: 2
Number of rings: 3
Molecular Weight: 229.07
Topological polar surface area: 44.5
Number of aromatic rings: 3
Fsp3: 0.154
Number of carbons: 13

Plant sources

Part of plant Plant name Ref.
PlantConium maculatum
PlantRuta graveolens
PlantRuta graveolens

In vitro data

Activity Type Activity Value Target Name UniProt ID Ref.
Potency31622.8 nMLysine-specific demethylase 4D-likeB2RXH2
Potency35481.3 nMAldehyde dehydrogenase 1A1P00352
Potency28183.8 nM15-hydroxyprostaglandin dehydrogenase [NAD+]P15428
Potency28183.8 nMHistone-lysine N-methyltransferase, H3 lysine-9 specific 3Q96KQ7
Potency20596.2 nMATPase family AAA domain-containing protein 5Q96QE3
Potency25118.9 nMBreast cancer type 1 susceptibility proteinP38398
Potency11220.2 nMGuanine nucleotide-binding protein G(s), subunit alphaP63092
Others24.3 %AcetylcholinesteraseP22303