General Information of the Compound
| Compound ID |
CP0045628
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-methyl-1,4-dihydronaphthalene-1,4-dione
Show/Hide
|
||||||||||||||||||
| Synonyms |
Aquakay
1,4-Naphthalenedione, 2-methyl-,radical ion(1-)
2-Methyl-1,4-naftochinon
2-Methyl-1,4-naftochinon [Czech]
2-Methyl-1,4-naphthalenedione
2-Methyl-1,4-naphthochinon
2-Methyl-1,4-naphthochinon [German]
2-Methyl-1,4-naphthoquinone
2-Methylnaphthoquinone
2-methyl-1,4-naphthoquinone, 5
2-methylnaphthalene-1,4-dione
3-Methyl-1,4-naphthoquinone
58-27-5
Aquakay
Aquinone
Ascorbic acid/menadione
Hemodal
Juva-K
K-Thrombyl
K-Vitan
Kaergona
Kanone
Kappaxan (VAN)
Kappaxin
Kappaxin (TN)
Karcon
Kareon
Kativ-G
Kayklot
Kaykot
Kayquinone
Kipca
Kipca, oil soluble
Kipca-Oil Soluble
Klottone
Klottone;Koaxin
Koaxin
Kolklot
M0373
Memodol
Menadion
Menadione
Menadione (K3)
Menadione (USP)
Menadione [USAN:BAN]
Menadione semiquinone
Menadionum
Menaphthon
Menaphthone
Menaphtone
Menaquinone 0
Methyl-1,4-naphthalenedione
Methyl-1,4-naphthoquinone
Methylnaphthoquinone
Mitenon
Mitenone
Panosine
Prokayvit
Synkay
Thyloquinone
Triglycyl-lysine-vasopressin
Usaf
Usaf ek-5185
VK3
Vicasol
Vitamin K 3
Vitamin K0
Vitamin K2(0)
Vitamin K3
Vitamin K3 : 2-Methyl-1,4-naphthoquinone
Vitamin-K3
menadione
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C11H8O2
|
||||||||||||||||||
| Molecular Weight |
172.183
|
||||||||||||||||||
| Canonical SMILES |
CC1=CC(=O)c2ccccc2C1=O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C11H8O2/c1-7-6-10(12)8-4-2-3-5-9(8)11(7)13/h2-6H,1H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
MJVAVZPDRWSRRC-UHFFFAOYSA-N
|
||||||||||||||||||
| CAS |
34524-96-4
82120-97-6
58-27-5
72060-21-0
|
||||||||||||||||||
| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
|
||||||||||||||||||
| Click to Show/Hide the External Link(s) of This Compound | |||||||||||||||||||
| PubChem ID | |||||||||||||||||||
| ChEMBL ID | |||||||||||||||||||
| DrugBank ID | |||||||||||||||||||
Map of Molecular Bioactivity Related to the Compound
|
Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
|
|---|
Table of Molecular Bioactivities Related to the Compound
Clinical Information about the Compound