General
Preferred name
ALIZARIN
Synonyms
1,2-Dihydroxyanthraquinone ()
Mordant Red 11 ()
Anthraquinonic ()
Alizarin ()
ATHRAQUINONES A ()
P&D ID
PD002137
CAS
72-48-0
1328-02-5
Tags
available
Structure
Probe scores
P&D probe-likeness score
[[ v.score ]]%
Structure formats
[[ format ]]
[[ compound[format === 'MOL' ? 'molblock' : format.toLowerCase()] ]]
Description
(extracted from source data)
DESCRIPTION Alizarin is a natural dye. Alizarin can be extracted from the roots of madder plant. Alizarin activates AMPK and VEGFR2/eNOS pathway. Alizarin regulates PI3K/Akt and inhibits NF-¦ÊB pathway. Alizarin enhances CYP1A1 enzyme activity. Alizarin has protective effects on hypertension and vascular endothelial dysfunction. Alizarin has anti-tumor activity against multiple cancers including pancreatic cancer, breast cancer, osteosarcoma and liver cancer. Alizarin has been widely used as a pigment in textile fabrics and paintings[1][2][3][4][5][6][7].
PRICE 29
DESCRIPTION Alizarin (Mordant Red 11), a red dye derived from the roots of plants of the madder genus, inhibits P450 isoform CYP1A1( IC50 = 6.2 ??M), CYP1A2 (IC50 =10.0 ??M )and CYP1B1(IC50 = 2.7 ??M).
DESCRIPTION Alizarin (Mordant Red 11), a red dye derived from the roots of plants of the madder genus, inhibits P450 isoform CYP1A1( IC50 = 6.2 μM), CYP1A2 (IC50 =10.0 μM )and CYP1B1(IC50 = 2.7 μM). (TargetMol Bioactive Compound Library)
Cell lines
3
Organisms
0
Compound Sets
9
Cayman Chemical Bioactives
11676
Drug Repurposing Hub
MedChem Express Bioactive Compound Library
HY-N0563
NPC Screening Collection
ReFrame library
Selleckchem Bioactive Compound Library
Alizarin
TargetMol Bioactive Compound Library
T2949
The Spectrum Collection
ZINC Tool Compounds
ZINC000003860973
External IDs
35
Properties
(calculated by RDKit )
Molecular Weight
240.04
Hydrogen Bond Acceptors
4
Hydrogen Bond Donors
2
Rotatable Bonds
0
Ring Count
3
Aromatic Ring Count
2
cLogP
1.87
TPSA
74.6
Fraction CSP3
0.0
Chiral centers
0.0
Largest ring
6.0
QED
0.59
Structural alerts
1
quinone_A(370)
[!#6&!#1]=[#6]1[#6]=,:[#6][#6](=[!#6&!#1])[#6]=,:[#6]1
PAINS Family A
Related compounds
Custom attributes
(extracted from source data)
Target
CYP1A1
CYP1A2
CYP1B1
Akt
AMPK
Cytochrome P450
NF-κB
PI3K
VEGFR
P450 (e.g. CYP17)
Pathway
Epigenetics
Metabolic Enzyme/Protease
PI3K/Akt/mTOR
Protein Tyrosine Kinase/RTK
Metabolism
NF-¦ÊB
Source data