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108238-41-1,MFCD00143082
Catalog No.:AA003INQ
108238-41-1 | 3,6-Dihydroxy-2-phenyl-4H-chromen-4-one
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1g
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2 weeks  
$253.00   $177.00
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Technical Information
Catalog Number:
AA003INQ
Chemical Name:
3,6-Dihydroxy-2-phenyl-4H-chromen-4-one
CAS Number:
108238-41-1
Molecular Formula:
C15H10O4
Molecular Weight:
254.2375
MDL Number:
MFCD00143082
IUPAC Name:
3,6-dihydroxy-2-phenylchromen-4-one
InChI:
InChI=1S/C15H10O4/c16-10-6-7-12-11(8-10)13(17)14(18)15(19-12)9-4-2-1-3-5-9/h1-8,16,18H
InChI Key:
XHLOLFKZCUCROE-UHFFFAOYSA-N
SMILES:
Oc1ccc2c(c1)c(=O)c(c(o2)c1ccccc1)O
Properties
Computed Properties
 
Complexity:
395  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
254.058g/mol
Formal Charge:
0
Heavy Atom Count:
19  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
254.241g/mol
Monoisotopic Mass:
254.058g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
66.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3  

Synonyms
 
3,6-dihydroxyflavone 
3,6-Dihydroxyflavone 
3,6-dihydroxy-2-phenylchromen-4-one 
AC1LEMIT 
ACMC-1C7FZ 
Oprea1_396152 
SCHEMBL1627936 
3,6-Dihydroxy-2-phenylchromone 
CTK4A5918 
ZINC57648 
DTXSID90350940 
BDBM50187657 
108238-41-1 
STL512574 
AKOS024307412 
MCULE-8833300798 
ZB002201 
RT-008249 
D5191 
FT-0734795 
ST50319482 
Y1999 
C-56283 
3,6-dihydroxy-2-phenyl-4H-chromen-4-one 
J-002077 
C15H10O4 
CID688659 
ZINC00057648 
6-Hydroxyflavonol 
3,6-dihydroxy-flavone 
CHEMBL210411 
XHLOLFKZCUCROE-UHFFFAOYSA-N 
4H-1-Benzopyran-4-one, 3,6-dihydroxy-2-phenyl- 
MFCD00143082 
Literature

Title: Small molecule inhibitors of the HPV16-E6 interaction with caspase 8.

Journal: Bioorganic & medicinal chemistry letters 20120301

Title: Interference of selected flavonoid aglycons in platelet aggregation assays.

Journal: Clinical chemistry and laboratory medicine 20120227

Title: Curcumin induces the apoptosis of human monocytic leukemia THP-1 cells via the activation of JNK/ERK pathways.

Journal: BMC complementary and alternative medicine 20120101

Title: MicroRNA-34a and microRNA-21 play roles in the chemopreventive effects of 3,6-dihydroxyflavone on 1-methyl-1-nitrosourea-induced breast carcinogenesis.

Journal: Breast cancer research : BCR 20120101

Title: Flavonoids in prevention of diseases with respect to modulation of Ca-pump function.

Journal: Interdisciplinary toxicology 20110901

Title: Quercetin-iron chelates are transported via glucose transporters.

Journal: Free radical biology & medicine 20110415

Title: Evaluation of antiaggregatory activity of flavonoid aglycone series.

Journal: Nutrition journal 20110101

Title: 3,6-Dihydroxyflavone induces apoptosis in leukemia HL-60 cell via reactive oxygen species-mediated p38 MAPK/JNK pathway.

Journal: European journal of pharmacology 20101201

Title: Cytotoxic flavonoids as agonists of peroxisome proliferator-activated receptor gamma on human cervical and prostate cancer cells.

Journal: Journal of natural products 20100723

Title: Reliability of bond dissociation enthalpy calculated by the PM6 method and experimental TEAC values in antiradical QSAR of flavonoids.

Journal: Bioorganic & medicinal chemistry 20100101

Title: Effect of flavonoids on androgen and glucocorticoid receptors based on in vitro reporter gene assay.

Journal: Bioorganic & medicinal chemistry letters 20090815

Title: Antimicrobial natural products as beta-ketoacyl-acyl carrier protein synthase III inhibitors.

Journal: Bioorganic & medicinal chemistry 20090801

Title: Inhibition of the sarcoplasmic/endoplasmic reticulum Ca2+-ATPase by flavonoids: a quantitative structure-activity relationship study.

Journal: IUBMB life 20081201

Title: Structurally related cytotoxic effects of flavonoids on human cancer cells in vitro.

Journal: Archives of pharmacal research 20080901

Title: Structure-activity relationship studies of flavonoids as potent inhibitors of human platelet 12-hLO, reticulocyte 15-hLO-1, and prostate epithelial 15-hLO-2.

Journal: Bioorganic & medicinal chemistry 20071201

Title: Inhibition of Plasmodium falciparum fatty acid biosynthesis: evaluation of FabG, FabZ, and FabI as drug targets for flavonoids.

Journal: Journal of medicinal chemistry 20060601

Title: Glucosylation of phenolic compounds by Pharbitis nil hairy roots: I. Glucosylation of coumarin and flavone derivatives.

Journal: Bioscience, biotechnology, and biochemistry 20041001

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