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Trans-anethole

by impac.co.in

Indian Plant Antiviral Compound Database (IMPAC)

Indian Plant Antiviral Compound Description
InAVPCDB Accession Number AVD047
Compound Name Trans-anethole
Phytochemical category Monomethoxybenzene
PubChem Id 637563
IUPAC Name1-methoxy-4-[(E)-prop-1-enyl]benzene
Molecular Formula C10H12O
Canonical SMILES Notation CC=CC1=CC=C(C=C1)OC
Binomial Name Foeniculum vulgare
Vernacular Names Sombu/Perunjeeragam/Pedhajilakarra/sweet fennel
Plant Part Seed
Family Apiaceae
Description Herpes simplex virus type 1 and SARS-CoV-2.
Mechanism of action It inhibits specifically the viral DNA polymerase during the replicationcycle when new viral DNA is synthesized.
Molecular weight 148.20 g/mol
XLOGP3 3.3
Num. H-bond acceptors 1
Num. H-bond donors 0
Rotatable bonds 2
Topological polar surface area 9.23 Ų
Bioavailability Score 0.55
Druglikeness Yes
Lipinski 0 violation
References Astani A, Reichling J, Schnitzler P. Screening for antiviral activities of isolated compounds from essential oils. Evidence-based complementary and alternative medicine. 2011 Jan 1;2011.

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