Carminic Acid - ≥80%,Natural dye , CAS No.1260-17-9

CAS: 1260-17-9 Cat. No.: C302310 Molecular Weight: 492.39 EC Number: 215-023-3

GRADE & PURITY ≥80%, Natural dye

Synonyms

CARMINIC ACID | CI 75470 [INCI] | HY-N8407 | Tox21_201979 | MFCD00167028 | SMR001397048 | NSC 6196 | W-108224 | CARMINIC ACID [HSDB] | 7-D-Glucopyranosyl-9,10-dihydro-3,5,6,8-tetrahydroxy-1-methyl-9,10-dioxo-2-anthroic acid | C.I. Natural red 4 | doi:10.1

Storage

Room temperature,Desiccated

Shipped In

Normal

Specifications

Synonyms

CARMINIC ACID | CI 75470 [INCI] | HY-N8407 | Tox21_201979 | MFCD00167028 | SMR001397048 | NSC 6196 | W-108224 | CARMINIC ACID [HSDB] | 7-D-Glucopyranosyl-9, 10-dihydro-3, 5, 6, 8-tetrahydroxy-1-methyl-9, 10-dioxo-2-anthroic acid | C.I. Natural red 4 | doi:10.1

Specifications & Purity

≥80%, Natural dye

Storage

Room temperature, Desiccated

Shipped In

Normal

Purity

≥80%

Names and Identifiers

• Pubchem Sid: 504765355
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504765355
• Canonical Smiles: CC1=C2C(=CC(=C1C(=O)O)O)C(=O)C3=C(C2=O)C(=C(C(=C3O)O)C4C(C(C(C(O4)CO)O)O)O)O
• IUPAC Name: 3,5,6,8-tetrahydroxy-1-methyl-9,10-dioxo-7-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]anthracene-2-carboxylic acid
• InChIKey: DGQLVPJVXFOQEV-JNVSTXMASA-N
• INCHI: 1S/C22H20O13/c1-4-8-5(2-6(24)9(4)22(33)34)13(25)10-11(15(8)27)16(28)12(18(30)17(10)29)21-20(32)19(31)14(26)7(3-23)35-21/h2,7,14,19-21,23-24,26,28-32H,3H2,1H3,(H,33,34)/t7-,14-,19+,20-,21+/m1/s1
• Isomeric SMILES: CC1=C2C(=CC(=C1C(=O)O)O)C(=O)C3=C(C2=O)C(=C(C(=C3O)O)[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O
• Molecular Weight: 492.39
• Reaxy-Rn: 25785866
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=25785866&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Class Anthracenes
      • Subclass Anthracenecarboxylic acids and derivatives

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Anthracenes
• Subclass: Anthracenecarboxylic acids and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Anthracenecarboxylic acids
• Alternative Parents: Hydroxyanthraquinones Phenolic glycosides Naphthalenecarboxylic acids Hexoses C-glycosyl compounds Salicylic acid and derivatives Aryl ketones 1-hydroxy-2-unsubstituted benzenoids Oxanes Vinylogous acids Secondary alcohols Polyols Oxacyclic compounds Carboxylic acids Dialkyl ethers Primary alcohols Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Anthracene carboxylic acid - 9,10-anthraquinone - Anthraquinone - Hydroxyanthraquinone - Phenolic glycoside - 2-naphthalenecarboxylic acid - 2-naphthalenecarboxylic acid or derivatives - Hexose monosaccharide - C-glycosyl compound - Glycosyl compound - Hydroxybenzoic acid - Salicylic acid or derivatives - Aryl ketone - Phenol - 1-hydroxy-2-unsubstituted benzenoid - Oxane - Monosaccharide - Vinylogous acid - Secondary alcohol - Ketone - Polyol - Carboxylic acid derivative - Carboxylic acid - Dialkyl ether - Ether - Oxacycle - Organoheterocyclic compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Primary alcohol - Alcohol - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as anthracenecarboxylic acids. These are organic compounds containing a carboxylic acid group attached to an anthracene ring system.
• External Descriptors: monocarboxylic acid - C-glycosyl compound - tetrahydroxyanthraquinone

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)

ACHE Tclin Acetylcholinesterase (18204 Activities)

Discover Target: ACHE

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MMP14 Tchem Matrix metalloproteinase 14 (1592 Activities)

Discover Target: MMP14

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PIN1 Tchem Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 (36611 Activities)

Discover Target: PIN1

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HepG2 (196354 Activities)

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HeLa (62764 Activities)

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FEN1 Tchem Flap endonuclease 1 (12055 Activities)

Discover Target: FEN1

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

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POLK Tbio DNA polymerase kappa (8653 Activities)

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POLI Tchem DNA polymerase iota (116820 Activities)

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POLH Tchem DNA polymerase eta (21678 Activities)

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KDM4A Tchem Lysine-specific demethylase 4A (52245 Activities)

Discover Target: KDM4A

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APEX1 Tchem DNA-(apurinic or apyrimidinic site) lyase (38016 Activities)

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TSG101 Tbio Tumor susceptibility gene 101 protein (2874 Activities)

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TDP1 Tchem Tyrosyl-DNA phosphodiesterase 1 (345557 Activities)

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L3MBTL1 Tchem Lethal(3)malignant brain tumor-like protein 1 (14536 Activities)

Discover Target: L3MBTL1

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GMNN Tbio Geminin (128009 Activities)

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SLCO1B1 Tchem Solute carrier organic anion transporter family member 1B1 (2672 Activities)

Discover Target: SLCO1B1

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CBX1 Tbio Chromobox protein homolog 1 (92434 Activities)

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SLCO1B3 Tchem Solute carrier organic anion transporter family member 1B3 (2517 Activities)

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ATXN2 Tbio Ataxin-2 (54410 Activities)

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GLS Tchem Glutaminase kidney isoform, mitochondrial (16997 Activities)

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WRN Tbio Werner syndrome ATP-dependent helicase (8824 Activities)

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Associated Targets(non-human)

Streptococcus mutans (2687 Activities)

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BCHE Cholinesterase (8742 Activities)

Discover Target: BCHE

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Nfe2l2 Nuclear factor erythroid 2-related factor 2 (214 Activities)

Discover Target: Nfe2l2

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Phosphoglycerate kinase, glycosomal (2184 Activities)

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vpr Aberrant vpr protein (14595 Activities)

Discover Target: vpr

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Mechanisms of Action

Chemical and Physical Properties

• Solubility: Soluble in water; Soluble in Alcohol; Insoluble in Ether,Benzene
• Molecular Weight: 492.400 g/mol
• XLogP3: 0.500
• Hydrogen Bond Donor Count: 9
• Hydrogen Bond Acceptor Count: 13
• Rotatable Bond Count: 3
• Exact Mass: 492.09 Da
• Monoisotopic Mass: 492.09 Da
• Topological Polar Surface Area: 243.000 Ų
• Heavy Atom Count: 35
• Formal Charge: 0
• Complexity: 864.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 5
• 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. Yuechun Li, Han Zhang, Zhaowen Cui, Sijie Liu, Jingke Xu, Conghui Jia, Yaqian Chen, Lulu Wang, Jing Sun, Daohong Zhang, Mingqiang Zhu, Jianlong Wang.  (2022)  Chemical staining enhanced Enzyme-linked immunosorbent assay for sensitive determination of Clenbuterol in food.  FOOD CHEMISTRY,      [PMID:36055143] [10.1016/j.foodchem.2022.134012]

2. Yihan Sun, Jinxia Huang, Siyang Zhao, Zhiguang Guo.  (2019)  Fabrication of durable self-repairing superhydrophobic fabrics via a fluorinate-free waterborne biomimetic silicification strategy.  NEW JOURNAL OF CHEMISTRY,  43  (13): (5032-5038).  [PMID:] [10.1039/C9NJ00019D]

3. Mingcheng Wang, Huixi Yi, Qibao Zheng, Muhammad Adnan Younis, Liyou Guo, Zhixiong Zhan, Muhammad Rizwan Younis, Chengzhi Jin, Dong-Yang Zhang.  (2025)  Carminic acid/ferric ion self assembled multienzyme mimetic nanodrug with concurrent photothermal/anti-inflammatory activity to prevent breast cancer metastasis.  Materials Today Bio,      [PMID:40677396] [10.1016/j.mtbio.2025.102028]