4-Cyclopentene-1,3-dione,2-[(4-hydroxy-3-methoxyphenyl)methylene]

Modify Date: 2026-08-03 17:01:21

4-Cyclopentene-1,3-dione,2-[(4-hydroxy-3-methoxyphenyl)methylene] Structure
4-Cyclopentene-1,3-dione,2-[(4-hydroxy-3-methoxyphenyl)methylene] structure
Common Name 4-Cyclopentene-1,3-dione,2-[(4-hydroxy-3-methoxyphenyl)methylene]
CAS Number 55776-43-7 Molecular Weight 230.21600
Density 1.393g/cm3 Boiling Point 459.5ºC at 760mmHg
Molecular Formula C13H10O4 Melting Point N/A
MSDS N/A Flash Point 182.4ºC

 Names

Name 2-(3'-methoxy-4'-hydroxybenzylidene)cyclopentene-1,3-dione

 Chemical & Physical Properties

Density 1.393g/cm3
Boiling Point 459.5ºC at 760mmHg
Molecular Formula C13H10O4
Molecular Weight 230.21600
Flash Point 182.4ºC
Exact Mass 230.05800
PSA 63.60000
LogP 1.49220
Index of Refraction 1.675
InChIKey ANRJXDLUSYOZDU-UHFFFAOYSA-N
SMILES COc1cc(C=C2C(=O)C=CC2=O)ccc1O

 Precursor & DownStream

Precursor  2

DownStream  0

 Bioassay

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Name: QFRET-based biochemical primary high throughput screening assay to identify exosite i...
Source: The Scripps Research Institute Molecular Screening Center
Target: disintegrin and metalloproteinase domain-containing protein 17 preproprotein [Homo sapiens]
External Id: ADAM17_INH_QFRET_1536_1X%INH PRUN
Name: qHTS for Inhibitors of human tyrosyl-DNA phosphodiesterase 1 (TDP1): qHTS in cells in...
Source: NCGC
Target: TDP1 protein [Homo sapiens]
External Id: TDP1100
Name: qHTS for Inhibitors of human tyrosyl-DNA phosphodiesterase 1 (TDP1): qHTS in cells in...
Source: NCGC
Target: TDP1 protein [Homo sapiens]
External Id: TDP1101
Name: Fluorescence-based biochemical high throughput screening confirmation assay to identi...
Source: The Scripps Research Institute Molecular Screening Center
Target: putative polyprotein [Crimean-Congo hemorrhagic fever virus]
External Id: CCHFVOTU-PEP-AMC_INH_FLINT_1536_3X%INH CRUN
Name: Bursicon-induced LGR2 mediated cAMP production in LGR-2/CRE6x-Luciferase co-transfect...
Source: Broad Institute
Target: N/A
External Id: Bursicon-induced LGR2 mediated cAMP production in LGR-2/CRE6x-Luciferase co-transfected HEK293 cells Inhibition - 7011-01_Antagonist_SinglePoint_HTS_Activity
Name: qHTS for Inhibitors of AMA1-RON; Towards Development of Antimalarial Drug Lead: Prima...
Source: NCGC
Target: apical membrane antigen 1, AMA1 [Plasmodium falciparum 3D7]
External Id: AMA1100
Name: Fluorescence polarization-based biochemical high throughput primary assay to identify...
Source: The Scripps Research Institute Molecular Screening Center
Target: abhydrolase domain-containing protein 4 isoform 1 [Mus musculus]
External Id: ABHD4_INH_FP_1536_1X%INH PRUN
Name: Fluorescence polarization-based biochemical high throughput confirmation assay to ide...
Source: The Scripps Research Institute Molecular Screening Center
Target: abhydrolase domain-containing protein 4 isoform 1 [Mus musculus]
External Id: ABHD4_INH_FP_1536_3X%INH CRUN
Name: Identification of agents that induce E-selectin on human endothelial cells Measured i...
Source: Broad Institute
Target: E-Selectin
External Id: 2152-01_Activator_SinglePoint_HTS_Activity
Name: Fluorescence polarization-based biochemical high throughput primary assay to identify...
Source: The Scripps Research Institute Molecular Screening Center
Target: RecName: Full=Sialate O-acetylesterase; AltName: Full=H-Lse; AltName: Full=Sialic acid-specific 9-O-acetylesterase; Flags: Precursor [Homo sapiens]
External Id: SIAE_INH_FP_1536_1X%INH PRUN
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