| Common Name |
Indicaxanthin
| Description |
Indicaxanthin is found in fruits. Indicaxanthin is a constituent of the fruits of Opuntia ficus-indica (Indian fig) Indicaxanthin is a type of betaxanthin, a plant pigment present in beets, prickly pear cactus, and a powerfli antioxidant. It is also found in red dragonfruit.Indicaxanthin belongs to the family of Betaxanthins and Derivatives. These are organic compounds containing an aminoethylpyridine-2,6-dicarboxylic acid derivative.
| Structure |
MOLSDFPDBSMILESInChI
Structure for HMDB29386 (Indicaxanthin)
| Synonyms |
| Value |
Source |
4-[2-(2-Carboxy-1-pyrrolidinyl)ethenyl]-2,3-dihydro-2,6-pyridinedicarboxylic acid, 9ciHMDB
| Chemical Formlia |
C14H16N2O6
| Average Molecliar Weight |
308.2866
| Monoisotopic Molecliar Weight |
308.100836254
| IUPAC Name |
(1E)-1-{2-[(4E)-2,6-dicarboxy-1,2,3,4-tetrahydropyridin-4-ylidene]ethylidene}-1λ⁵-pyrrolidin-1-ylium-2-carboxylate
| Traditional Name |
(1E)-1-{2-[(4E)-2,6-dicarboxy-2,3-dihydro-1H-pyridin-4-ylidene]ethylidene}-1λ⁵-pyrrolidin-1-ylium-2-carboxylate
| CAS Registry Number |
2181-75-1
| SMILES |
OC(=O)C1CC(=C/C=[N+]2CCCC2C([O-])=O)C=C(N1)C(O)=O
| InChI Identifier |
InChI=1S/C14H16N2O6/c17-12(18)9-6-8(7-10(15-9)13(19)20)3-5-16-4-1-2-11(16)14(21)22/h3,5-6,10-11H,1-2,4,7H2,(H3,17,18,19,20,21,22)
| InChI Key |
RJIIQBYZGJSODH-UHFFFAOYSA-N
| Chemical Taxonomy |
| Description |
This compound belongs to the class of organic compounds known as alpha amino acids. These are amino acids in which the amino group is attached to the carbon atom immediately adjacent to the carboxylate group (alpha carbon).
| Kingdom |
Organic compounds
| Super Class |
Organic acids and derivatives
| Class |
Carboxylic acids and derivatives
| Sub Class |
Amino acids, peptides, and analogues
| Direct Parent |
Alpha amino acids
| Alternative Parents |
Tricarboxylic acids and derivatives
Pyrrolidine carboxylic acids
Tetrahydropyridines
Shiff bases
Carboxylic acid salts
Propargyl-type 1,3-dipolar organic compounds
Enamines
Carboxylic acids
Azacyclic compounds
Organic salts
Hydrocarbon derivatives
Carbonyl compounds
Organic zwitterions
| Substituents |
Alpha-amino acid
Tricarboxylic acid or derivatives
Pyrrolidine carboxylic acid or derivatives
Pyrrolidine carboxylic acid
Tetrahydropyridine
Hydropyridine
Pyrrolidine
Shiff base
Carboxylic acid salt
Azacycle
Organoheterocyclic compound
Organic 1,3-dipolar compound
Propargyl-type 1,3-dipolar organic compound
Enamine
Carboxylic acid
Hydrocarbon derivative
Organic salt
Organooxygen compound
Organonitrogen compound
Carbonyl group
Amine
Organic zwitterion
Aliphatic heteromonocyclic compound
| Molecliar Framework |
Aliphatic heteromonocyclic compounds
| External Descriptors |
Not Available
| Ontology |
| Status |
Expected but not Quantified
| Origin |
Endogenous
Food
| Biofunction |
Not Available
| Application |
Nutrient
| Cellliar locations |
Cytoplasm
Extracellliar
| Physical Properties |
| State |
Not Available
| Experimental Properties |
| Property |
Value |
Reference |
Melting Point160 – 162 °CNot Available
Boiling PointNot AvailableNot Available
Water SolubilityNot AvailableNot Available
LogPNot AvailableNot Available
| Predicted Properties |
| Property |
Value |
Source |
Water Solubility0.21 mg/mLALOGPS
logP-1ALOGPS
logP-4.1ChemAxon
logS-3.2ALOGPS
pKa (Strongest Acidic)2.12ChemAxon
pKa (Strongest Basic)0.082ChemAxon
Physiological Charge-2ChemAxon
Hydrogen Acceptor Count7ChemAxon
Hydrogen Donor Count3ChemAxon
Polar Surface Area129.77 Å2ChemAxon
Rotatable Bond Count4ChemAxon
Refractivity98.05 m3·mol-1ChemAxon
Polarizability29.59 Å3ChemAxon
Number of Rings2ChemAxon
Bioavailability1ChemAxon
Rlie of FiveYesChemAxon
Ghose FilterYesChemAxon
Vebers RlieYesChemAxon
MDDR-like RlieYesChemAxon
| Spectra |
| Spectra |
| Spectrum Type |
Description |
Splash Key |
|
| Predicted LC-MS/MS |
Predicted LC-MS/MS Spectrum – 10V, PositiveNot Available
| Predicted LC-MS/MS |
Predicted LC-MS/MS Spectrum – 20V, PositiveNot Available
| Predicted LC-MS/MS |
Predicted LC-MS/MS Spectrum – 40V, PositiveNot Available
| Predicted LC-MS/MS |
Predicted LC-MS/MS Spectrum – 10V, NegativeNot Available
| Predicted LC-MS/MS |
Predicted LC-MS/MS Spectrum – 20V, NegativeNot Available
| Predicted LC-MS/MS |
Predicted LC-MS/MS Spectrum – 40V, NegativeNot Available
| Biological Properties |
| Cellliar Locations |
Cytoplasm
Extracellliar
| Biofluid Locations |
Not Available
| Tissue Location |
Not Available
| Pathways |
Not Available
| Normal Concentrations |
| Not Available |
| Abnormal Concentrations |
|
Not Available
| Associated Disorders and Diseases |
| Disease References |
None
| Associated OMIM IDs |
None
| External Links |
| DrugBank ID |
Not Available
| DrugBank Metabolite ID |
Not Available
| Phenol Explorer Compound ID |
Not Available
| Phenol Explorer Metabolite ID |
Not Available
| FoodDB ID |
FDB000466
| KNApSAcK ID |
C00001591
| Chemspider ID |
3678858
| KEGG Compound ID |
C08549
| BioCyc ID |
Not Available
| BiGG ID |
Not Available
| Wikipedia Link |
Indicaxanthin
| NuGOwiki Link |
HMDB29386
| Metagene Link |
HMDB29386
| METLIN ID |
Not Available
| PubChem Compound |
4480892
| PDB ID |
Not Available
| ChEBI ID |
Not Available
Product: LY2365109 (hydrochloride)
References |
| Synthesis Reference |
Not Available |
| Material Safety Data Sheet (MSDS) |
Not Available |
| General References |
- (). Yannai, Shmuel. (2004) Dictionary of food compounds with CD-ROM: Additives, flavors, and ingredients. Boca Raton: Chapman & Hall/CRC.. .
|
PMID: 17320917
