CARMINES
Relevant Data
Food Additives Approved by European Union:
General Information
| Synonyms: | COCHINEAL CARMINE |
| Chemical Names: | HYDRATED ALUMINIUM CHELATE OF CARMINIC ACID (7-beta-D-GLUCOPYRANOSYL-3,5,6,8- TETRAHYDROXY-1-METHYL-9,10-DIOXOANTHRACENE-2-CARBOXYLIC ACID) |
| CAS number: | 1390-65-4; 1260-17-9 (CARMINIC ACID) |
| INS: | 120 |
| Functional Class: |
Food Additives COLOUR |
From apps.who.int
Evaluations
| Evaluation year: | 2000 |
| ADI: | 0-5 mg/kg bw (1982) |
| Meeting: | 26 |
| Specs Code: | R (1995) |
| Comments: | At the fifty-fifth meeting (2000), the 1982 ADI of 0-5 mg/kg bw for carmines, as ammonium carmine or the equivalent of calcium, potassium and sodium salts, was not reconsidered and was maintained. |
| Report: | TRS 901-JECFA 55/10 |
| Tox Monograph: | FAS 17-JECFA 26/59 (1982) |
| Specification: | COMPENDIUM ADDENDUM 10/FNP 52 Add.10/34 (METALS LIMITS) (2002); FAO JECFA Monographs 1 vol.1/307 |
From apps.who.int
GSFA Provisions for CARMINES
| Number | Food Category | Max Level | Notes |
|---|---|---|---|
| 14.2.7 | Aromatized alcoholic beverages (e.g. beer, wine and spirituous cooler-type beverages, low alcoholic refreshers) |
200 mg/kg | Note 178 |
| 07.1.4 | Bread-type products, including bread stuffing and bread crumbs |
500 mg/kg | Note 178 |
| 01.6.5 | Cheese analogues |
100 mg/kg | Note 3,Note 178 |
| 05.3 | Chewing gum |
500 mg/kg | Note 178 |
| 05.2 | Confectionery including hard and soft candy, nougats, etc. other than food categories 05.1, 05.3 and 05.4 |
300 mg/kg | Note XS309R |
| 07.1.2 | Crackers, excluding sweet crackers |
200 mg/kg | Note 178 |
| 08.3.1.1 | Cured (including salted) non-heat treated processed comminuted meat, poultry, and game products |
200 mg/kg | Note 118 |
| 08.4 | Edible casings (e.g. sausage casings) |
500 mg/kg | Note 16 |
| 02.3 | Fat emulsions mainly of type oil-in-water, including mixed and/or flavoured products based on fat emulsions |
500 mg/kg | Note 178,Note 161 |
| 02.2.2 | Fat spreads, dairy fat spreads and blended spreads |
500 mg/kg | Note 178,Note 161 |
| 09.3.1 | Fish and fish products, including mollusks, crustaceans, and echinoderms, marinated and/or in jelly |
500 mg/kg | Note 16 |
| 09.3.2 | Fish and fish products, including mollusks, crustaceans, and echinoderms, pickled and/or in brine |
500 mg/kg | Note 16 |
| 01.1.4 | Flavoured fluid milk drinks |
150 mg/kg | Note 52 |
| 10.1 | Fresh eggs |
GMP | Note 4 |
| 09.1.1 | Fresh fish |
300 mg/kg | Note 16,Note 4,Note 50 |
| 08.1.2 | Fresh meat, poultry, and game, comminuted |
100 mg/kg | Note 16,Note 4,Note 117 |
| 08.1.1 | Fresh meat, poultry, and game, whole pieces or cuts |
500 mg/kg | Note 16,Note 4 |
| 09.1.2 | Fresh mollusks, crustaceans, and echinoderms |
500 mg/kg | Note 16,Note 4,Note XS315,Note XS312,Note XS292 |
| 09.2.4.3 | Fried fish and fish products, including mollusks, crustaceans, and echinoderms |
500 mg/kg | Note 16,Note 95,Note 178 |
| 09.2.2 | Frozen battered fish, fish fillets, and fish products, including mollusks, crustaceans, and echinoderms |
500 mg/kg | Note 16,Note XS166,Note 95,Note 178 |
| 09.2.1 | Frozen fish, fish fillets, and fish products, including mollusks, crustaceans, and echinoderms |
100 mg/kg | Note XS95,Note XS190,Note 95,Note XS165,Note XS191,Note XS315,Note XS312,Note XS292,Note XS36,Note 178,Note XS92 |
| 09.2.3 | Frozen minced and creamed fish products, including mollusks, crustaceans, and echinoderms |
500 mg/kg | Note 16 |
| 08.3.3 | Frozen processed comminuted meat, poultry, and game products |
500 mg/kg | Note 16 |
| 04.1.2.8 | Fruit preparations, including pulp, purees, fruit toppings and coconut milk |
500 mg/kg | Note 182 |
| 09.4 | Fully preserved, including canned or fermented fish and fish products, including mollusks, crustaceans, and echinoderms |
500 mg/kg | Note 16 |
| 08.3.2 | Heat-treated processed comminuted meat, poultry, and game products |
100 mg/kg | Note XS89,Note XS88,Note XS98 |
| 06.4.3 | Pre-cooked pastas and noodles and like products |
100 mg/kg | Note 153,Note 178 |
| 08.2 | Processed meat, poultry, and game products in whole pieces or cuts |
500 mg/kg | Note XS96,Note 16,Note XS97 |
| 09.2.5 | Smoked, dried, fermented, and/or salted fish and fish products, including mollusks, crustaceans, and echinoderms |
300 mg/kg | Note XS311,Note 22 |
| 15.3 | Snacks - fish based |
200 mg/kg | Note 178 |
| 06.8.1 | Soybean-based beverages |
100 mg/kg | Note 178 |
| 04.1.1.2 | Surface-treated fresh fruit |
500 mg/kg | Note 16,Note 4 |
| 04.2.1.2 | Surface-treated fresh vegetables (including mushrooms and fungi, roots and tubers, pulses and legumes, and aloe vera), seaweeds, and nuts and seeds |
500 mg/kg | Note 16,Note 4 |
| 04.2.2.6 | Vegetable (including mushrooms and fungi, roots and tubers, pulses and legumes, and aloe vera), seaweed, and nut and seed pulps and preparations (e.g. vegetable desserts and sauces, candied vegetables) other than food category 04.2.2.5 |
200 mg/kg | Note 92 |
| 04.2.2.3 | Vegetables (including mushrooms and fungi, roots and tubers, pulses and legumes, and aloe vera), and seaweeds in vinegar, oil, brine, or soybean sauce |
500 mg/kg | Note 178,Note 161 |
| 14.1.4 | Water-based flavoured drinks, including "sport," "energy," or "electrolyte" drinks and particulated drinks |
100 mg/kg | Note 178 |
From www.fao.org
Computed Descriptors
Download SDF| 2D Structure | |
| CID | 14950 |
| IUPAC Name | 3,5,6,8-tetrahydroxy-1-methyl-9,10-dioxo-7-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]anthracene-2-carboxylic acid |
| InChI | 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) |
| InChI Key | DGQLVPJVXFOQEV-UHFFFAOYSA-N |
| 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 |
| Molecular Formula | C22H20O13 |
| Wikipedia | carminic acid |
From Pubchem
Computed Properties
| Property Name | Property Value |
|---|---|
| Molecular Weight | 492.389 |
| Hydrogen Bond Donor Count | 9 |
| Hydrogen Bond Acceptor Count | 13 |
| Rotatable Bond Count | 3 |
| Complexity | 864.0 |
| CACTVS Substructure Key Fingerprint | A A A D c e B 4 P A A A A A A A A A A A A A A A A A A A A A A A A A A 0 Y M E A A A A A A A D B Q A A A G g A A C A A A D B S g m A I y D o A A B g C I A q D S C A A C A A A k I A A A i A E G i M g J N z a C N B q C c U E l 4 B U L u Y f L 7 v T u 4 Q A D C A A Y Q A D C A A Y Q A D C A A A A A A A A A A A = = |
| Topological Polar Surface Area | 243.0 |
| Monoisotopic Mass | 492.09 |
| Exact Mass | 492.09 |
| XLogP3 | None |
| XLogP3-AA | 0.5 |
| Compound Is Canonicalized | True |
| Formal Charge | 0 |
| Heavy Atom Count | 35 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 5 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Isotope Atom Count | 0 |
| Covalently-Bonded Unit Count | 1 |
From Pubchem
ADMET Predicted Profile --- Classification
| Model | Result | Probability |
|---|---|---|
| Absorption | ||
| Blood-Brain Barrier | BBB- | 0.8458 |
| Human Intestinal Absorption | HIA+ | 0.8417 |
| Caco-2 Permeability | Caco2- | 0.8872 |
| P-glycoprotein Substrate | Substrate | 0.6493 |
| P-glycoprotein Inhibitor | Non-inhibitor | 0.9315 |
| Non-inhibitor | 0.8982 | |
| Renal Organic Cation Transporter | Non-inhibitor | 0.9114 |
| Distribution | ||
| Subcellular localization | Mitochondria | 0.6163 |
| Metabolism | ||
| CYP450 2C9 Substrate | Non-substrate | 0.7284 |
| CYP450 2D6 Substrate | Non-substrate | 0.8527 |
| CYP450 3A4 Substrate | Non-substrate | 0.5754 |
| CYP450 1A2 Inhibitor | Non-inhibitor | 0.8873 |
| CYP450 2C9 Inhibitor | Non-inhibitor | 0.9018 |
| CYP450 2D6 Inhibitor | Non-inhibitor | 0.9727 |
| CYP450 2C19 Inhibitor | Non-inhibitor | 0.9423 |
| CYP450 3A4 Inhibitor | Non-inhibitor | 0.9337 |
| CYP Inhibitory Promiscuity | Low CYP Inhibitory Promiscuity | 0.8922 |
| Excretion | ||
| Toxicity | ||
| Human Ether-a-go-go-Related Gene Inhibition | Weak inhibitor | 0.9711 |
| Non-inhibitor | 0.7727 | |
| AMES Toxicity | AMES toxic | 0.9107 |
| Carcinogens | Non-carcinogens | 0.9518 |
| Fish Toxicity | High FHMT | 0.9348 |
| Tetrahymena Pyriformis Toxicity | High TPT | 0.9453 |
| Honey Bee Toxicity | High HBT | 0.5446 |
| Biodegradation | Ready biodegradable | 0.5087 |
| Acute Oral Toxicity | III | 0.4005 |
| Carcinogenicity (Three-class) | Non-required | 0.7236 |
From admetSAR
ADMET Predicted Profile --- Regression
| Model | Value | Unit |
|---|---|---|
| Absorption | ||
| Aqueous solubility | -2.5524 | LogS |
| Caco-2 Permeability | -0.6858 | LogPapp, cm/s |
| Distribution | ||
| Metabolism | ||
| Excretion | ||
| Toxicity | ||
| Rat Acute Toxicity | 2.6570 | LD50, mol/kg |
| Fish Toxicity | 0.9557 | pLC50, mg/L |
| Tetrahymena Pyriformis Toxicity | 0.0795 | pIGC50, ug/L |
From admetSAR
Taxonomic Classification
| Kingdom | Organic compounds |
|---|---|
| Superclass | Benzenoids |
| Class | Anthracenes |
| Subclass | Anthracenecarboxylic acids and derivatives |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Anthracenecarboxylic acids |
| Alternative Parents |
|
| 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 - 1-hydroxy-2-unsubstituted benzenoid - Oxane - Monosaccharide - Vinylogous acid - Secondary alcohol - Ketone - Polyol - Carboxylic acid derivative - Carboxylic acid - Dialkyl ether - Ether - Oxacycle - Organoheterocyclic compound - Monocarboxylic acid or derivatives - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Primary alcohol - Alcohol - Organic oxygen compound - 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. |
From ClassyFire