Molecular Identity
Menadione
2-methylnaphthalene-1,4-dione
PubChem CID: 4055
Menadione is a member of the class of 1,4-naphthoquinones that is 1,4-naphthoquinone which is substituted at position 2 by a methyl group. It is used as a nutritional supplement and for the treatment of hypoprothrombinemia. It has a role as an EC 3.4.22.69 (SARS coronavirus main proteinase) inhibitor, an antineoplastic agent, an angiogenesis inhibitor, a nutraceutical and a human urinary metabolite. It is a member of 1,4-naphthoquinones and a vitamin K.
2D Structure
Properties
C11H8O2
Molecular Formula
172.18
Molecular Weight
g/mol
172.0524
Exact Mass
Da
2.2
XLogP
Drug-like (Lipinski: < 5)
34.1
TPSA
Good oral absorption (< 140 A²)
0
H-Bond Donors
2
H-Bond Acceptors
288
Complexity
SMILES
Canonical SMILES
SMILES: CC1=CC(=O)C2=CC=CC=C2C1=OIsomeric SMILES
SMILES: CC1=CC(=O)C2=CC=CC=C2C1=OSynonyms(20)
menadione58-27-5Vitamin K32-Methyl-1,4-naphthoquinone2-methylnaphthalene-1,4-dioneKayquinoneMenaphthoneThyloquinoneKanoneKappaxinKayklotKlottonePanosine2-Methyl-1,4-naphthalenedioneKolklot
Data from PubChem (NCBI)
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Drug Network
Trials and conditions connected to Menadione
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