General Information of the Compound
| Compound ID |
CP0058616
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| Compound Name |
5-Hydroxy-2-methyl-[1,4]naphthoquinone
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| Synonyms |
1,4-NAPHTHOQUINONE, 5-HYDROXY-2-METHYL-
1,4-Naphthalenedione, 5-hydroxy-2-methyl-
2-Methyl-5-hydroxy-1,4-naphthoquinone
2-Methyljuglone
481-42-5
5-Hydroxy-2-methyl-1,4-naphthalenedione
5-Hydroxy-2-methyl-1,4-naphthoquinone
5-Hydroxy-2-methyl-[1,4]naphthoquinone
5-hydroxy-2-methylnaphthalene-1,4-dione
AI3-38055
BRN 1870475
CCRIS 6671
CHEBI:8273
CHEMBL295316
EINECS 207-569-6
NSC 236613
NSC 688284
NSC688284
Plumbaein
Plumbagin
Plumbagine
Plumbagone
UNII-YAS4TBQ4OQ
VCMMXZQDRFWYSE-UHFFFAOYSA-N
YAS4TBQ4OQ
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| Structure |
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| Formula |
C11H8O3
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| Molecular Weight |
188.182
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| Canonical SMILES |
CC1=CC(=O)c2c(O)cccc2C1=O
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| InChI |
InChI=1S/C11H8O3/c1-6-5-9(13)10-7(11(6)14)3-2-4-8(10)12/h2-5,12H,1H3
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| InChIKey |
VCMMXZQDRFWYSE-UHFFFAOYSA-N
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| CAS |
481-42-5
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| 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
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Map of Molecular Bioactivity Related to the Compound
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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 |
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Table of Molecular Bioactivities Related to the Compound
Protein ID: PT02204, Cytochrome P450 1A1
Protein ID: PT01002, Cytochrome P450 1A2
Protein ID: PT02205, Cytochrome P450 1B1
Protein ID: PT01049, Cytochrome P450 2C19
Protein ID: PT00905, Cytochrome P450 2C9
Protein ID: PT00817, Cytochrome P450 2D6
Protein ID: PT00986, Cytochrome P450 3A4
Protein ID: PT02293, Dual specificity mitogen-activated protein kinase kinase 7
Protein ID: PT03652, Mitogen-activated protein kinase kinase kinase 14
Cell Viability or Cytotoxicity Assay
| Cell Line ID | Cell Line Name | Cell Line Organism | |
| CL000103 | LS174T | Homo sapiens (Human) | 1 |
| 1 |
IC50 = 9900 nM
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TI
LI
LO
TS
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| CL000752 | PBMC iPSC #1 | Homo sapiens (Human) | 1 |
| 1 |
IC50 = 2700 nM
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LI
LO
TS
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Clinical Information about the Compound