Compound Summary
Compound Information
aurintricarboxylic acid
Compound Name: | aurintricarboxylic acid |
Compound CID: | 2259 |
Synonyms: | aurintricarboxylic acid 4431-00-9 Aluminon free acid aurin tricarboxylic acid Aluminon More... |
Iupac Name: | 5-[(3-carboxy-4-hydroxyphenyl)-(3-carboxy-4-oxocyclohexa-2,5-dien-1-ylidene)methyl]-2-hydroxybenzoic acid |
InChI: | InChI=1S/C22H14O9/c23-16-4-1-10(7-13(16)20(26)27)19(11-2-5-17(24)14(8-11)21(28)29)12-3-6-18(25)15(9-12)22(30)31/h1-9,23-24H,(H,26,27)(H,28,29)(H,30,31) |
InChIKey: | GIXWDMTZECRIJT-UHFFFAOYSA-N |
Canonical Smiles: | C1=CC(=C(C=C1C(=C2C=CC(=O)C(=C2)C(=O)O)C3=CC(=C(C=C3)O)C(=O)O)C(=O)O)O |
Isomeric Smiles: | C1=CC(=C(C=C1C(=C2C=CC(=O)C(=C2)C(=O)O)C3=CC(=C(C=C3)O)C(=O)O)C(=O)O)O |
Molecular Weight: | 422.3 |
Molecular Formula: | C22H14O9 |
Compound Structure
2D Structure:
3D Structure:
Computed Properties
aurintricarboxylic acid
Molecular Weight: | 422.3 |
Molecular Formula: | C22H14O9 |
Hydrogen Bond Donor Count: | 5 |
Hydrogen Bond Acceptor Count: | 9 |
Rotatable Bond Count: | 5 |
Heavy Atom Count: | 31 |
Complexity: | 841 |
Synonyms
aurintricarboxylic acid
| aurintricarboxylic acid | aurintricarboxylic acid |
|---|---|
aurintricarboxylic acid |
4431-00-9 |
Aluminon free acid |
aurin tricarboxylic acid |
Aluminon |
NSC 4056 |
ATA |
UNII-NP9O8E29QW |
NP9O8E29QW |
5,5-(3-Carboxy-4-oxocyclohexa-2,5-dienylidenemethylene)di(salicylic acid)" |
5,5-((3-Carboxy-4-oxocyclohexa-2,5-dien-1-ylidene)methylene)bis(2-hydroxybenzoic acid) |
MLS002153482 |
5-(3-carboxy-4-hydroxyphenyl)-(3-carboxy-4-oxocyclohexa-2,5-dien-1-ylidene)methyl-2-hydroxybenzoic acid |
CHEBI:87397 |
MFCD00011663 |
3,3-(3-carboxy-4-oxocyclohexa-2,5-dien-1-ylidene)methylenebis(6-hydroxybenzoic acid) |
Benzoic acid, 5-((3-carboxy-4-hydroxyphenyl)(3-carboxy-4-oxo-2,5-cyclohexadien-1-ylidene)methyl)-2-hydroxy- |
SMR000326731 |
1,4-Cyclohexadiene-1-carboxylic acid, 3-(bis(3-carboxy-4-hydroxyphenyl)methylene)-6-oxo- |
1,4-Cyclohexadiene-1-carboxylic acid, 3-bis(3-carboxy-4-hydroxyphenyl)methylene-6-oxo- |
5-(3-carboxy-4-hydroxyphenyl)(3-carboxy-4-oxocyclohexa-2,5-dienylidene)methyl -2-hydroxybenzoic acid |
Benzoic acid, 5-(3-carboxy-4-hydroxyphenyl)(3-carboxy-4-oxo-2,5-cyclohexadien-1-ylidene)methyl-2-hydroxy- |
NSC643698 |
SR-01000075661 |
EINECS 224-628-1 |
BRN 2228904 |
Benzoic acid, 3,3-((3-carboxy-4-oxo-2,5-cyclohexadien-1-ylidene)methylene)bis(6-hydroxy-" |
Benzoic acid, 3,3-(3-carboxy-4-oxo-2,5-cyclohexadien-1-ylidene)methylenebis6-hydroxy- |
Dupont ATA |
Lopac-A-1895 |
Aurintricarboxylicacid(ATA) |
chrome violet CG free acid |
cid_2259 |
NSC4056ATA |
Lopac0_000054 |
SCHEMBL98495 |
4-10-00-04161 (Beilstein Handbook Reference) |
SPECTRUM1505163 |
CHEMBL275938 |
DTXSID9063453 |
BDBM60996 |
NSC4056 |
HMS3260K09 |
AMY25154 |
NSC-4056 |
ZINC3833863 |
Tox21_500054 |
SBB005410 |
AKOS015969706 |
AT15393 |
CCG-204149 |
LP00054 |
MCULE-4200379590 |
SDCCGSBI-0050042.P002 |
3,3-(3-Carboxy-4-oxo-2,5-cyclohexadien-1-ylidene)methylenebis6-hydroxybenzoic acid |
Dupont DA 639 (SD-095345) |
NCGC00015040-01 |
NCGC00015040-02 |
NCGC00015040-03 |
NCGC00015040-04 |
NCGC00015040-05 |
NCGC00015040-06 |
NCGC00015040-08 |
NCGC00093568-01 |
NCGC00096052-01 |
NCGC00096052-02 |
NCGC00260739-01 |
O147 |
ST057219 |
HY-122575 |
CS-0087159 |
EU-0100054 |
FT-0622509 |
A 1895 |
Q4822390 |
SR-01000075661-1 |
SR-01000075661-7 |
Aurintricarboxylic acid, practical grade, >=85% (titration), powder |
5-(3-carboxy-4-hydroxy-phenyl)-(3-carboxy-4-keto-cyclohexa-2,5-dien-1-ylidene)methyl-2-hydroxy-benzoic acid |
5-(3-carboxy-4-hydroxy-phenyl)-(3-carboxy-4-oxo-cyclohexa-2,5-dien-1-ylidene)methyl-2-hydroxy-benzoic acid |
5-(3-carboxy-4-hydroxyphenyl)-(3-carboxy-4-oxo-1-cyclohexa-2,5-dienylidene)methyl-2-hydroxybenzoic acid |
5-(3-carboxy-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)-(3-carboxy-4-oxidanyl-phenyl)methyl-2-oxidanyl-benzoic acid |
Benzoic acid, 5-(3-carboxy-4-hydroxyphenyl) (3-carboxy-4-oxo-2,5-cyclohexadien-1-ylidene)methyl-2-hydroxy- |
Experimental Data
aurintricarboxylic acid
| Species | Dosage | Unit | CG Lifespan(AVG/MED days) | TG Lifespan(AVG/MED days) | Lifespan Change(AVG/MED%) | CG Lifespan(MAX days) | TG Lifespan(MAX days) | Lifespan Change(MAX%) | Significant | Strain | Gender | PubMed | Active Label |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Caenorhabditis elegans | 33 | umol/L | -6 | NS | N2 | 24134630 | Inactive | ||||||
| Drosophila melanogaster | 0.5 | mM | 61 | 70 | 15 | NS | MALES | 15621204 | Inactive |
Experimental Data Visualization
aurintricarboxylic acid
Statistics Data
aurintricarboxylic acid
| Species | Lifespan Change(AVG/MED%) | Lifespan Change(MAX%) | Count Reference | Count Data point |
|---|---|---|---|---|
| Caenorhabditis elegans | -6 | 1 | 1 | |
| Drosophila melanogaster | 15 | 1 | 1 |
Statistics Data Visualization
aurintricarboxylic acid
