Bioactive Compound Details

BioIDbio200583
NameMENADIONE
ChEMBL IDCHEMBL590
Molecular FormulaC11H8O2
Molecular Weight172.18
Molecular Weight (Monoisotopic)172.0524
TypeSmall molecule
Max PhasePhase 4
Target IDTar81
Target NameNone
Synonyms1,4-NAPHTHALENEDIONE, 2-METHYL|Kappaxin|MENADIONE|MENAPHTHENE|MENAPHTHONE|Menadione|NSC-4170|VITAMIN K 3|VITAMIN K3|Vitamin K 3
SmilesCC1=CC(=O)c2ccccc2C1=O
InchiInChI=1S/C11H8O2/c1-7-6-10(12)8-4-2-3-5-9(8)11(7)13/h2-6H,1H3
Inchi KeyMJVAVZPDRWSRRC-UHFFFAOYSA-N
Molecular SpeciesNEUTRAL
Targets254.0
Bioactivities602.0
Np Likeness Score1.1
Records Key['64', 'Menadione', 'SID144203885', '17', 'Menadione', '1', 'Menadione', 'Vitamin K3, menadione', '8', 'SID11112142', '10', 'menadione', 'Menadione', 'SID11532917', 'SID70547', 'menadione', 'Menadione', 'menadione', '4', 'menadione', 'mnd', '5, menadione, vitamin K3', '1b', '2-methylnaphthoquinone', 'Menadione', '21, menadione', '3', '23', 'Table 1,9', 'menadione', '1n', 'SID26748651', 'menadione', '13', '143', 'Menadione', 'Menadione', 'MENADIONE', 'SID56422378', 'SID174006181', 'Menadione', 'Menadione', 'Menadione, 2-methyl-1,4-NQ', 'Menadione', '1', 'menadione', 'Menadione', 'Menadione', 'Menadione', 'Menadione', 'SID144211684', '5', 'Menadione', '9', 'Table 8, R20C1', 'MENADIONE', 'SID104171275', 'Menadione', '1d', 'SID174316135', 'SID170464997', 'Menadione', 'Menadione', 'menadione', '1b', 'MENADIONE', 'MENADIONE', 'menadione', '5, menadione', 'Menadione', 'Menadione, vitamin K3', 'Menadione', 'Vitamin K3', 'Menadione', 'Menadione', '30', 'Menadione', 'Menadione', '33', 'Menadione', 'Menadione', 'Menadione', 'Menadione', 'MENADIONE', 'Menadione', 'MD', 'Menadione', 'menadione', 'MENADIONE', '18', 'Menadione', 'MENADIONE', '28', '17', 'Menadione', 'VK3', '1', 'Menadione', 'MENADIONE', 'MENADIONE', 'MENADIONE', 'COVC-2825514246', 'Men', 'Menadione', 'Menadione', 'Menadione', 'Menadione', 'Menadione', 'Menadione', 'Menadione', 'Vitamin K3', '3', 'MENADIONE', 'menadione', 'Menadione', 'Vitamin K3', 'EOS100869', 'EOS100869', 'VK3', '130']
Records Name['2-Methyl-[1,4]naphthoquinone', '2-Methyl-[1,4]naphthoquinone', 'SID144203885', '2-Methyl-[1,4]naphthoquinone', 'Menadione', '2-Methyl-[1,4]naphthoquinone', 'Menadione', '2-methyl-1,4-naphthoquinone', '2-methylnaphthalene-1,4-dione', 'SID11112142', '2-Methyl-[1,4]naphthoquinone', '2-methylnaphthalene-1,4-dione', 'Menadione', 'SID11532917', 'SID70547', '2-methylnaphthalene-1,4-dione', '2-Methyl-[1,4]naphthoquinone', '2-Methyl-[1,4]naphthoquinone', '2-methylnaphthalene-1,4-dione', '2-Methyl-[1,4]naphthoquinone', 'Menadione', '2-methyl-1,4-naphthoquinone', '2-Methyl-[1,4]naphthoquinone', '2-Methyl-[1,4]naphthoquinone', '2-Methyl-[1,4]naphthoquinone', '2-methylnaphthalene-1,4-dione', '2-Methyl-[1,4]naphthoquinone', 'Vitamin-K3', 'mendione', 'menadione', '2-methylnaphthalene-1,4-dione', 'SID26748651', 'menadione', '2-methyl-1,4-naphthoquinone', 'Menadion', 'Menadione', 'Menadione', 'MENADIONE', 'SID56422378', 'SID174006181', 'Menadione', 'Menadione', '2-Methyl-1,4-naphthoquinone', 'Menadione', 'menadione', 'menadione', 'Menadione', 'Menadione', 'Menadione', 'Menadione', 'SID144211684', '2-methylnaphthalene-1,4-dione', 'Menadione', 'Menadione', 'Vitamin K2(0)', 'MENADIONE', 'SID104171275', 'Menadione', 'menadione', 'SID174316135', 'SID170464997', 'Menadione', 'Menadione', '2-Methyl-[1,4]naphthoquinone', '2-methylnaphthalene-1,4-dione', 'MENADIONE', 'MENADIONE', '2-Methyl-[1,4]naphthoquinone (menadione)', '2-methyl-1,4-naphthaquinone', 'Menadione', '2-methyl-1,4-naphthoquinone', 'Menadione', 'Vitamin K3', '2-Methyl-[1,4]naphthoquinone', '2-Methyl-[1,4]naphthoquinone', 'Menadione', 'Menadione', 'Menadione', 'Menadione', 'Menadione', 'Menadione', 'Menadione', 'Menadione', 'MENADIONE', 'Menadione', 'Menadione', 'Menadione', '2-methylnaphthalene-1,4-dione', 'MENADIONE', 'Menadione', 'Menadione', 'MENADIONE', 'Menadione', '2-methylnaphthalene-1,4-dione', 'Menadione', 'Vitamin K3', 'Menadione', 'Menadione', 'MENADIONE', 'MENADIONE', 'MENADIONE', 'MENADIONE', 'Menadione', 'Menadione', 'Menadione', 'Menadione', 'Menadione', 'Vitamin K3', 'Menadione', 'Menadione', 'Vitamin K3', 'Vitamin K3; Menadione', 'MENADIONE', 'menadione', 'Menadione', 'Vitamin K3', 'MENADIONE', 'MENADIONE', 'Menadione; Vitamin K3, 2-methyl-1,4-naphthoquinone', 'Menadione']
Withdrawn FlagFalse
Orphan0

Molecular Structure

2D Molecular Structure