Phyto4Health

1-Methoxy-4-[(Z)-Prop-1-Enyl]Benzene

Representations & DB's id

ChEBI: CHEBI:78412
ChEMBL: CHEMBL1468832
PubChem: 1549040
IUPAC: 1-methoxy-4-[(Z)-prop-1-enyl]benzene
Standard InChI: InChI=1S/C10H12O/c1-3-4-9-5-7-10(11-2)8-6-9/h3-8H,1-2H3/b4-3-
Standard InChI Key: RUVINXPYWBROJD-ARJAWSKDSA-N
SMILES: C/C=Cc1ccc(cc1)OC

Molecular propeties

AlogP: 2.73
Hydrogen bonds acceptors: 1
Hydrogen bonds donors: 0
Rotatable bonds: 2
Number of rings: 1
Molecular Weight: 148.09
Topological polar surface area: 9.2
Number of aromatic rings: 1
Fsp3: 0.2
Number of carbons: 10

Plant sources

Part of plant Plant name Ref.
PlantPimpinella anisum
PlantPimpinella anisum
PlantGlycyrrhiza glabra
PlantGlycyrrhiza uralensis
FructusFoeniculum vulgare
FructusFoeniculum vulgare
FructusFoeniculum vulgare
FructusFoeniculum vulgare

In vitro data

Activity Type Activity Value Target Name UniProt ID Ref.
Potency316.2 nMPrelamin-A/CP02545
Potency794.3 nMThyroid stimulating hormone receptorP16473
Potency794.3 nMThyroid stimulating hormone receptorP16473
Potency5 nMCellular tumor antigen p53P04637
Potency12589.3 nMCytochrome P450 3A4P08684
Potency12589.3 nMCytochrome P450 3A4P08684