Phyto4Health

6-(2-Methylbut-3-En-2-Yl)Furo[3,2-G]Chromen-7-One

Representations & DB's id

ChEBI: CHEBI:3572
ChEMBL: CHEMBL1333931
PubChem: 128834
IUPAC: 6-(2-methylbut-3-en-2-yl)furo[3,2-g]chromen-7-one
Standard InChI: InChI=1S/C16H14O3/c1-4-16(2,3)12-8-11-7-10-5-6-18-13(10)9-14(11)19-15(12)17/h4-9H,1H2,2-3H3
Standard InChI Key: FYCCCUNGXGKNJV-UHFFFAOYSA-N
SMILES: C=CC(c1cc2cc3ccoc3cc2oc1=O)(C)C

Molecular propeties

AlogP: 4
Hydrogen bonds acceptors: 3
Hydrogen bonds donors: 0
Rotatable bonds: 2
Number of rings: 3
Molecular Weight: 254.09
Topological polar surface area: 39.4
Number of aromatic rings: 3
Fsp3: 0.188
Number of carbons: 16

Plant sources

Part of plant Plant name Ref.
PlantRuta graveolens
PlantRuta graveolens

In vitro data

Activity Type Activity Value Target Name UniProt ID Ref.
Potency35481.3 nMHuntingtinP42858
Potency22387.2 nMBeta-glucocerebrosidaseP04062
Potency50118.7 nMLysine-specific demethylase 4AO75164
Potency32642.7 nMGemininO75496