7-Hydroxycoumarin-3-carboxylic Acid - ≥98% , CAS No.779-27-1

CAS: 779-27-1 Cat. No.: H131313 Molecular Weight: 206.152 EC Number: 634-754-2

GRADE & PURITY ≥98%

Synonyms

H1352 | SY055309 | 1-(4-Aminophenyl)-4-methyl-7,8- | HMS1622I11 | BiomolKI_000004 | 7X-0812 | C10H6O5 | SCHEMBL37883 | CBMicro_006719 | Oprea1_196511 | 7-Hydroxy-2-oxochromene-3-carboxylic acid | BIM-0006588.P001 | STL512106 | NCGC00485610-01 | SR-0100046

Storage

Store at -20°C,Argon charged

Shipped In

Ice chest + Ice pads

Overview

Application

7-Hydroxycoumarin-3-carboxylic acid (7-OHCCA) is used as a fluorogenic substrate for glycosyltransferase assays. 7-OHCCA may be used as a non-cinnamate-class substrate analog to study 4-hydroxycinnamate decarboxylase (4-HCD)-inducing activity in Klebsiella oxytoca cells. It is suitable as a pH indicator.

Specifications

Synonyms

H1352 | SY055309 | 1-(4-Aminophenyl)-4-methyl-7, 8- | HMS1622I11 | BiomolKI_000004 | 7X-0812 | C10H6O5 | SCHEMBL37883 | CBMicro_006719 | Oprea1_196511 | 7-Hydroxy-2-oxochromene-3-carboxylic acid | BIM-0006588.P001 | STL512106 | NCGC00485610-01 | SR-0100046

Specifications & Purity

≥98%

Storage

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.

Purity

≥98%

Names and Identifiers

• Pubchem Sid: 488195375
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488195375
• Canonical Smiles: C1=CC2=C(C=C1O)OC(=O)C(=C2)C(=O)O
• IUPAC Name: 7-hydroxy-2-oxochromene-3-carboxylic acid
• InChIKey: LKLWLDOUZJEHDY-UHFFFAOYSA-N
• INCHI: 1S/C10H6O5/c11-6-2-1-5-3-7(9(12)13)10(14)15-8(5)4-6/h1-4,11H,(H,12,13)
• Isomeric SMILES: C1=CC2=C(C=C1O)OC(=O)C(=C2)C(=O)O
• WGK Germany: 3
• Molecular Weight: 206.152
• Reaxy-Rn: 384141
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=384141&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Phenylpropanoids and polyketides
    • Class Coumarins and derivatives
      • Subclass Hydroxycoumarins

• Kingdom: Organic compounds
• Superclass: Phenylpropanoids and polyketides
• Class: Coumarins and derivatives
• Subclass: Hydroxycoumarins
• Intermediate Tree Nodes: Not available
• Direct Parent: 7-hydroxycoumarins
• Alternative Parents: 1-benzopyrans Pyranones and derivatives 1-hydroxy-2-unsubstituted benzenoids Heteroaromatic compounds Lactones Oxacyclic compounds Monocarboxylic acids and derivatives Carboxylic acids Organooxygen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: 7-hydroxycoumarin - Benzopyran - 1-benzopyran - 1-hydroxy-2-unsubstituted benzenoid - Pyranone - Pyran - Benzenoid - Heteroaromatic compound - Lactone - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Oxacycle - Organoheterocyclic compound - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Organic oxygen compound - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as 7-hydroxycoumarins. These are coumarins that contain one or more hydroxyl groups attached to the C7 position the coumarin skeleton.
• 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.

DOI: 10.1186/s13321-016-0174-y

Associated Targets(Human)

K562 (73714 Activities)

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A549 (127892 Activities)

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HepG2 (196354 Activities)

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GNAS Tbio Guanine nucleotide-binding protein G(s), subunit alpha (103405 Activities)

Discover Target: GNAS

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

ATXN2 Tbio Ataxin-2 (54410 Activities)

Discover Target: ATXN2

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Associated Targets(non-human)

Mus musculus (284745 Activities)

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CCRF S-180 (1031 Activities)

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Mechanisms of Action

Chemical and Physical Properties

• Sensitivity: Light Sensitive,Heat Sensitive
• Melt Point(°C): 263°C(lit.)
• Molecular Weight: 206.150 g/mol
• XLogP3: 1.800
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 1
• Exact Mass: 206.022 Da
• Monoisotopic Mass: 206.022 Da
• Topological Polar Surface Area: 83.800 Ų
• Heavy Atom Count: 15
• Formal Charge: 0
• Complexity: 333.000
• 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

References

1. Huaiqi Shi, Junsong Yue, Muhammad Saad Ahmed, Xiaochen Liu, Min Tu, Yunfei Shen, Yiying Hu, Liru Zhang, Jingyun Zhao, Wenjun Shao, Zhansheng Wu.  (2025)  BSA-templated magnetic nanocomposite Ni-MOF for one step purification and co-immobilization of glycosyltransferases and sucrose synthase catalyzing ginsenoside Rh2 transformation.  APPLIED SURFACE SCIENCE,      [PMID:] [10.1016/j.apsusc.2025.164264]