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Ginkgolic Acid (C13:0) - analytical standard,≥98%, high purity , CAS No.20261-38-5
Basic Description
Synonyms
Ginkgoneolic acid | MFCD01661602 | Salicylic acid, 6-tridecyl- | AS-62129 | CHEBI:175101 | 2-TRIDECYL-6-HYDROXYBENZOIC ACID | Ginkgolic acid (13:0) | DTXSID10174105 | FT-0697966 | 6-Tridecylsalicylic acid | 6-Tridecyl-Salicylic acid | SCHEMBL20298323 | 1,
Specifications & Purity
analytical standard, ≥98%
Shipped In
Normal
Grade
analytical standard
Product Description
Ginkgoneolic acid is a chemical isolated from ginkgo sarcotestas that inhibits growth of tumor cells and normal cells in vitro.
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Benzoic acids and derivatives
Intermediate Tree Nodes
Hydroxybenzoic acid derivatives - Salicylic acid and derivatives
Direct Parent
Salicylic acids
Alternative Parents
Benzoic acids Benzoyl derivatives 1-hydroxy-4-unsubstituted benzenoids 1-hydroxy-2-unsubstituted benzenoids Vinylogous acids Monocarboxylic acids and derivatives Carboxylic acids Organooxygen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Salicylic acid - Benzoic acid - Benzoyl - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Vinylogous acid - Monocarboxylic acid or derivatives - Carboxylic acid - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Aromatic homomonocyclic compound
Description
This compound belongs to the class of organic compounds known as salicylic acids. These are ortho-hydroxylated benzoic acids.
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
2-hydroxy-6-tridecylbenzoic acid
INCHI
InChI=1S/C20H32O3/c1-2-3-4-5-6-7-8-9-10-11-12-14-17-15-13-16-18(21)19(17)20(22)23/h13,15-16,21H,2-12,14H2,1H3,(H,22,23)
InChIKey
VEPUCZUJLKAVNM-UHFFFAOYSA-N
Smiles
CCCCCCCCCCCCCC1=C(C(=CC=C1)O)C(=O)O
Isomeric SMILES
CCCCCCCCCCCCCC1=C(C(=CC=C1)O)C(=O)O
Molecular Weight
320.466
Reaxy-Rn
2660108
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2660108&ln=
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Molecular Weight
320.500 g/mol
XLogP3
8.400
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
3
Rotatable Bond Count
13
Exact Mass
320.235 Da
Monoisotopic Mass
320.235 Da
Topological Polar Surface Area
57.500 Ų
Heavy Atom Count
23
Formal Charge
0
Complexity
303.000
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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K1525027