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Atranorin - 99%, high purity , CAS No.479-20-9
Basic Description
Synonyms
3-Hydroxy-4-(methoxycarbonyl)-2,5-dimethylphenyl 3-formyl-2,4-dihydroxy-6-methylbenzoate | BSPBio_003332 | SR-05000002629 | CCG-38801 | NCGC00095465-01 | Q27258788 | Antranoric acid | Atranorine | Benzoic acid, 3-formyl-2,4-dihydroxy-6-methyl-, 3-hydroxy-
Specifications & Purity
Moligand™, ≥98%
Biochemical and Physiological Mechanisms
Atranorin is a lichen secondary metabolite. Atranorin inhibits lung cancer cell motility and tumorigenesis by affecting AP-1 , Wnt , and STAT signaling and suppressing RhoGTPase activity.
Storage Temp
Protected from light,Store at -20°C,Argon charged
Shipped In
Ice chest + Ice pads
This product requires cold chain shipping. Ground and other economy services are not available.
Grade
Moligand™
Product Description
Atranorin is a lichen secondary metabolite. Atranorin inhibits lung cancer cell motility and tumorigenesis by affecting AP-1 , Wnt , and STAT signaling and suppressing RhoGTPase activity
Form:Solid
IC50& Target:RhoGTPase
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Phenylpropanoids and polyketides
Class
Depsides and depsidones
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Depsides and depsidones
Alternative Parents
p-Hydroxybenzoic acid esters o-Hydroxybenzoic acid esters Phenol esters Salicylic acid and derivatives Hydroxybenzaldehydes p-Xylenols p-Xylenes Resorcinols Phenoxy compounds Ortho cresols Meta cresols Benzoyl derivatives 1-hydroxy-4-unsubstituted benzenoids 1-hydroxy-2-unsubstituted benzenoids Toluenes Dicarboxylic acids and derivatives Methyl esters Vinylogous acids Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Depside backbone - P-hydroxybenzoic acid ester - O-hydroxybenzoic acid ester - Dihydroxybenzoic acid - Benzoate ester - Phenol ester - Salicylic acid or derivatives - P-xylenol - Xylenol - Benzoic acid or derivatives - Hydroxybenzaldehyde - Benzoyl - Phenoxy compound - M-cresol - P-xylene - O-cresol - Resorcinol - Benzaldehyde - Xylene - Phenol - Toluene - Aryl-aldehyde - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Monocyclic benzene moiety - Dicarboxylic acid or derivatives - Benzenoid - Methyl ester - Vinylogous acid - Carboxylic acid ester - Carboxylic acid derivative - Aldehyde - Organooxygen compound - Organic oxide - Organic oxygen compound - Hydrocarbon derivative - Aromatic homomonocyclic compound
Description
This compound belongs to the class of organic compounds known as depsides and depsidones. These are polycyclic compounds that is either a polyphenolic compound composed of two or more monocyclic aromatic units linked by an ester bond (depside), or a compound containing the depsidone structure (depsidone).
External Descriptors
Not available
Data sources
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.
Associated Targets(Human)
Associated Targets(non-human)
Mechanisms of Action
Mechanism of Action
Action Type
target ID
Target Name
Target Type
Target Organism
Binding Site Name
References
Names and Identifiers
IUPAC Name
(3-hydroxy-4-methoxycarbonyl-2,5-dimethylphenyl) 3-formyl-2,4-dihydroxy-6-methylbenzoate
INCHI
InChI=1S/C19H18O8/c1-8-5-12(21)11(7-20)17(23)15(8)19(25)27-13-6-9(2)14(18(24)26-4)16(22)10(13)3/h5-7,21-23H,1-4H3
InChIKey
YLOYKYXNDHOHHT-UHFFFAOYSA-N
Smiles
CC1=CC(=C(C(=C1C(=O)OC2=C(C(=C(C(=C2)C)C(=O)OC)O)C)O)C=O)O
Isomeric SMILES
CC1=CC(=C(C(=C1C(=O)OC2=C(C(=C(C(=C2)C)C(=O)OC)O)C)O)C=O)O
PubChem CID
68066
Molecular Weight
374.34
Certificates(CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Solubility
DMSO : 16.67 mg/mL (44.53 mM; ultrasonic and warming and heat to 60°C)
Sensitivity
Light sensitive;Heat sensitive
Molecular Weight
374.300 g/mol
XLogP3
4.300
Hydrogen Bond Donor Count
3
Hydrogen Bond Acceptor Count
8
Rotatable Bond Count
6
Exact Mass
374.1 Da
Monoisotopic Mass
374.1 Da
Topological Polar Surface Area
130.000 Ų
Heavy Atom Count
27
Formal Charge
0
Complexity
564.000
Isotope Atom Count
0
Defined Atom Stereocenter Count
0
Undefined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
0
Undefined Bond Stereocenter Count
0
The total count of all stereochemical bonds
0
Covalently-Bonded Unit Count
1
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