U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ACHIRAL
Molecular Formula C19H12O3.2Na
Molecular Weight 334.2763
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 4-(Bis(p-hydroxyphenyl)methylene)cyclohexa-2,5-dien-1-one, disodium salt

SMILES

[Na+].[Na+].[O-]C1=CC=C(C=C1)C(C2=CC=C([O-])C=C2)=C3C=CC(=O)C=C3

InChI

InChIKey=FVDLPGJOSQQTMY-UHFFFAOYSA-L
InChI=1S/C19H14O3.2Na/c20-16-7-1-13(2-8-16)19(14-3-9-17(21)10-4-14)15-5-11-18(22)12-6-15;;/h1-12,20-21H;;/q;2*+1/p-2

HIDE SMILES / InChI

Molecular Formula C19H12O3
Molecular Weight 288.2968
Charge -2
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula Na
Molecular Weight 22.98976928
Charge 1
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

PubMed

PubMed

TitleDatePubMed
Human sex hormone-binding globulin binding affinities of 125 structurally diverse chemicals and comparison with their binding to androgen receptor, estrogen receptor, and α-fetoprotein.
2015-02
The quinone methide aurin is a heat shock response inducer that causes proteotoxic stress and Noxa-dependent apoptosis in malignant melanoma cells.
2015-01-16
Exploring the influence of steric, electronic and lipophilic descriptors of 1,3-diarly propenones on their anti-inflammatory activity.
2010
Discovery of selective glucocorticoid receptor modulators by multiplexed reporter screening.
2009-03-24
Gene expression-based screening for inhibitors of PDGFR signaling.
2008
Prediction of estrogen receptor agonists and characterization of associated molecular descriptors by statistical learning methods.
2006-11
Differential activation of heme oxygenase-1 by chalcones and rosolic acid in endothelial cells.
2005-02
[Injectable dyes: more than 70 years of therapeutic usage of dyes].
2005
Study of 202 natural, synthetic, and environmental chemicals for binding to the androgen receptor.
2003-10
Characterization of recombinant integrase of human immunodeficiency virus type 1 (isolate Bru).
2003-09
Identification of caspase-3 and caspase-activated deoxyribonuclease in rat blastocysts and their implication in the induction of chromatin degradation (but not nuclear fragmentation) by high glucose.
2001-02
Selective inhibitory activity of polyhydroxycarboxylates derived from phenolic compounds against human immunodeficiency virus replication.
1991
Fuchsin acid selectively inhibits human immunodeficiency virus (HIV) replication in vitro.
1988-09-30
Aurintricarboxylic acid and Evans Blue represent two different classes of anionic compounds which selectively inhibit the cytopathogenicity of human T-cell lymphotropic virus type III/lymphadenopathy-associated virus.
1986-04-14
Patents

Patents

Substance Class Chemical
Created
by admin
on Wed Apr 02 21:00:38 GMT 2025
Edited
by admin
on Wed Apr 02 21:00:38 GMT 2025
Record UNII
G76Z4EW52D
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
2,5-Cyclohexadien-1-one, 4-[bis(4-hydroxyphenyl)methylene]-, disodium salt
Preferred Name English
4-(Bis(p-hydroxyphenyl)methylene)cyclohexa-2,5-dien-1-one, disodium salt
Common Name English
2,5-Cyclohexadien-1-one, 4-[bis(4-hydroxyphenyl)methylene]-, sodium salt (1:2)
Systematic Name English
Code System Code Type Description
PUBCHEM
44148044
Created by admin on Wed Apr 02 21:00:38 GMT 2025 , Edited by admin on Wed Apr 02 21:00:38 GMT 2025
PRIMARY
CAS
84332-99-0
Created by admin on Wed Apr 02 21:00:38 GMT 2025 , Edited by admin on Wed Apr 02 21:00:38 GMT 2025
PRIMARY
ECHA (EC/EINECS)
282-729-6
Created by admin on Wed Apr 02 21:00:38 GMT 2025 , Edited by admin on Wed Apr 02 21:00:38 GMT 2025
PRIMARY
EPA CompTox
DTXSID20233297
Created by admin on Wed Apr 02 21:00:38 GMT 2025 , Edited by admin on Wed Apr 02 21:00:38 GMT 2025
PRIMARY
FDA UNII
G76Z4EW52D
Created by admin on Wed Apr 02 21:00:38 GMT 2025 , Edited by admin on Wed Apr 02 21:00:38 GMT 2025
PRIMARY
Related Record Type Details
PARENT -> SALT/SOLVATE