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90-24-4,MFCD00017243
Catalog No.:AA003HBJ
90-24-4 | 2-Hydroxy-4,6-dimethoxyacetophenone
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Technical Information
Catalog Number:
AA003HBJ
Chemical Name:
2-Hydroxy-4,6-dimethoxyacetophenone
CAS Number:
90-24-4
Molecular Formula:
C10H12O4
Molecular Weight:
196.1999
MDL Number:
MFCD00017243
IUPAC Name:
1-(2-hydroxy-4,6-dimethoxyphenyl)ethanone
InChI:
InChI=1S/C10H12O4/c1-6(11)10-8(12)4-7(13-2)5-9(10)14-3/h4-5,12H,1-3H3
InChI Key:
FBUBVLUPUDBFME-UHFFFAOYSA-N
SMILES:
COc1cc(OC)cc(c1C(=O)C)O
EC Number:
201-978-3
UNII:
Z8RSY5TZPA
NSC Number:
17392
Properties
Computed Properties
 
Complexity:
204  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
196.074g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
196.202g/mol
Monoisotopic Mass:
196.074g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
55.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7  

Synonyms
 
2-hydroxy-4,6-dimethoxyacetophenone 
brevifolin 
1-(2-Hydroxy-4,6-dimethoxyphenyl)ethanone 
ST24037116 
1-(2-Hydroxy-4,6-dimethoxyphenyl)ethanone # 
2'-Hydroxy-4',6'-dimethoxyacetophenone, 97% 
A-8021 
C10726 
Ethanone,1-(2-hydroxy-4,6-dimethoxyphenyl)- 
SR-05000002434 
2''-HYDROXY-4'',6''-DIMETHOXYACETOPHENONE 
Brevifolin; 4',6'-Dimethoxy-2'-hydroxyacetophenone 
SR-05000002434-1 
Brevifolin (Zanthoxylum) 
BRD-K12260308-001-02-6 
BRD-K12260308-001-04-2 
I14-19971 
Ethanone,6-dimethoxyphenyl)- 
C10H12O4 
CID66654 
AR-1I0748 
ACN-001674 
C10-H12-O4 
1-(2-hydroxy-4,6-dimethoxyphenyl)ethan-1-on 
Phloracetophenone dimethyl ether 
96430-25-0 
Brevifolin (VAN) 
1-(2-Hydroxy-4,6-dimethoxyphenyl)ethan-1-one 
2,4-Di-O-methylphloroacetophenone 
4,6-Dimethoxy-2-hydroxyacetophenone 
Phloroacetophenone 2,4-dimethyl ether 
UNII-Z8RSY5TZPA 
Acetophenone der. 
xanthoxylin 
Ethanone, 1-(2-hydroxy-4,6-dimethoxyphenyl)- 
4',6'-dimethoxy-2'-hydroxyacetophenone 
1-Acetyl-2-hydroxy-4,6-dimethoxybenzene 
Z8RSY5TZPA 
NSC 17392 
CHEBI:10070 
FBUBVLUPUDBFME-UHFFFAOYSA-N 
MFCD00017243 
2-Hydroxyl-4,6-dimethoxy-acetophenone 
AK135500 
xanthoxyline 
1-(2-hydroxy-4,6-dimethoxy-phenyl)ethanone 
Acetophenone, 2'-hydroxy-4',6'-dimethoxy- 
AQ-358/42007313 
Acetophenone, 2'-hydroxy-4',6'-dimethoxy- (8CI) 
brevifolin(van) 
6-Methoxypaeonol 
EINECS 201-978-3 
Spectrum_000577 
SpecPlus_000713 
AI3-26010 
Xanthoxylin 
Spectrum2_000463 
Spectrum3_000181 
Spectrum4_001499 
Spectrum5_000237 
ACMC-209r5b 
AC1L25UT 
AC1Q5D4Z 
Acetophenone,6'-dimethoxy- 
SCHEMBL44708 
BSPBio_001701 
90-24-4 
KBioGR_002137 
KBioSS_001057 
SPECTRUM200441 
MLS002207182 
DivK1c_006809 
SPBio_000566 
2-Acetyl-3,5-dimethoxyphenol 
CHEMBL450288 
CTK3J0177 
KBio1_001753 
2'-Hydroxy-4',6'-dimethoxyacetophenone 
KBio2_001057 
KBio2_003625 
KBio2_006193 
KBio3_001201 
DTXSID10237981 
ZINC157077 
KS-000012GK 
NSC17392 
ZX-AT021196 
ANW-39453 
Brevifolin 
CCG-38702 
NSC-17392 
SBB071509 
2-Hydroxy-4, 6-dimethoxyacetophenone 
4, 6-Dimethoxy-2-hydroxyacetophenone 
AKOS015856339 
FCH1116672 
MCULE-4292389127 
OR22374 
RTR-030636 
Xanthoxyline 
SDCCGMLS-0066937.P001 
TRA0050729 
2'-hyroxy-4',6'-dimethoxyacetophenone 
NCGC00095824-01 
NCGC00095824-02 
4CN-0948 
AJ-14872 
AS-40799 
SC-69796 
SMR001306755 
2-Hydroxy-4,6-dimethoxyacetophenone 
ST098711 
ZB006545 
2'-Hydroxy-4',6'-dimethoxy-Acetophenone 
(2-hydroxy-4,6-dimethoxy-phenyl)-ethanone 
AB1004782 
AX8000172 
TR-030636 
1-(2-hydroxy-4,6-dimethoxyphenyl)-ethanone 
D2683 
FT-0612544 
Literature

Title: Phyllanthus urinaria Induces Apoptosis in Human Osteosarcoma 143B Cells via Activation of Fas/FasL- and Mitochondria-Mediated Pathways.

Journal: Evidence-based complementary and alternative medicine : eCAM 20120101

Title: [Chemical constituents of Ammopiptanthus mongolicus].

Journal: Zhongguo Zhong yao za zhi = Zhongguo zhongyao zazhi = China journal of Chinese materia medica 20110401

Title: Ellagic Acid, the Active Compound of Phyllanthus urinaria, Exerts In Vivo Anti-Angiogenic Effect and Inhibits MMP-2 Activity.

Journal: Evidence-based complementary and alternative medicine : eCAM 20110101

Title: Evaluating interaction forces between BSA and rabbit anti-BSA in sulphathiazole sodium, tylosin and levofloxacin solution by AFM.

Journal: Nanoscale research letters 20110101

Title: Computer aided screening and evaluation of herbal therapeutics against MRSA infections.

Journal: Bioinformation 20110101

Title: Prenylflavonoids and prenyl/alkyl-phloroacetophenones: synthesis and antitumour biological evaluation.

Journal: European journal of medicinal chemistry 20100901

Title: [Phenols from Euphorbia humifusa].

Journal: Zhongguo Zhong yao za zhi = Zhongguo zhongyao zazhi = China journal of Chinese materia medica 20100301

Title: Antinociceptive and anti-inflammatory effects of ethanolic extracts of Glycine max (L.) Merr and Rhynchosia nulubilis seeds.

Journal: International journal of molecular sciences 20091101

Title: Antimicrobial phenolic compounds from Anabasis aphylla L.

Journal: Natural product communications 20090301

Title: Pharmacokinetics and tissue distribution of 8,9-epoxy brevifolin in rats, a hepatoprotective constituent isolated from Phyllanthus simplex Retz by liquid chromatography coupled with mass spectrometry method.

Journal: Biopharmaceutics & drug disposition 20080701

Title: [Chemical constituents of aerial part of Acalypha australis].

Journal: Zhongguo Zhong yao za zhi = Zhongguo zhongyao zazhi = China journal of Chinese materia medica 20080601

Title: [Studies on chemical constituents in roots of Euphorbia soongarica].

Journal: Zhongguo Zhong yao za zhi = Zhongguo zhongyao zazhi = China journal of Chinese materia medica 20060901

Title: [Protecting effect of brevifolin and 8,9-single-epoxy brevifolin of Phyllanthus simplex on rat liver injury].

Journal: Zhongguo Zhong yao za zhi = Zhongguo zhongyao zazhi = China journal of Chinese materia medica 20060901

Title: Antinociceptive effects of synthetic chalcones obtained from xanthoxyline.

Journal: Archiv der Pharmazie 20060701

Title: Molecular structure and QSAR study on antispasmodic activity of some xanthoxyline derivatives.

Journal: Archiv der Pharmazie 20060501

Title: Microsphere-based protease assays and screening application for lethal factor and factor Xa.

Journal: Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501

Title: Synthesis of chalcone analogues with increased antileishmanial activity.

Journal: Bioorganic & medicinal chemistry 20060301

Title: Antifungal activity and studies on mode of action of novel xanthoxyline-derived chalcones.

Journal: Archiv der Pharmazie 20050301

Title: Antifungal constituents of Melicope borbonica.

Journal: Phytotherapy research : PTR 20040701

Title: A linear sesterterpene, two squalene derivatives and two peptide derivatives from Croton hieronymi.

Journal: Phytochemistry 20030901

Title: Frontal immunoaffinity chromatography with mass spectrometric detection: a method for finding active compounds from traditional Chinese herbs.

Journal: Analytical chemistry 20030815

Title: Antibacterial alkaloids from Zanthoxylum rhoifolium.

Journal: Planta medica 20030401

Title: Antifeedant constituents from Fagara macrophylla.

Journal: Fitoterapia 20010601

Title: Phenolic acids and depsides from some species of the Erodium genera.

Journal: Zeitschrift fur Naturforschung. C, Journal of biosciences 20010101

Title: Fungicide and fungiostatic effects of xanthoxyline.

Journal: Journal of ethnopharmacology 19960901

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