Molecule

Indicaxanthin

AlkaPlorer ID: AK044590

Synonym: 'Indicaxanthin', ''

IUPAC Name: (2S)-4-[2-[(2S)-2-carboxypyrrolidin-1-yl]ethenyl]-2,3-dihydropyridine-2,6-dicarboxylic acid

Structure

SMILES: O=C([O-])C1=CC(=CC=[N+]2CCC[C@H]2C(=O)O)C[C@@H](C(=O)O)N1

InChI: 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)/t10-,11-/m0/s1

InChIKey: RJIIQBYZGJSODH-QWRGUYRKSA-N

Reference

Antioxidant Activities of Sicilian Prickly Pear (<i>Opuntia ficus indica</i>) Fruit Extracts and Reducing Properties of Its Betalains: Betanin and Indicaxanthin

PubChem CID: 6096870

CAS: 2181-75-1

LOTUS: LTS0229685

SuperNatural Ⅲ: SN0326962-02

NPASS: NPC134717

Source

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain
Persicaria perfoliata	Persicaria	Polygonaceae	Caryophyllales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Opuntia ficus-indica	Opuntia	Cactaceae	Caryophyllales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Portulaca grandiflora	Portulaca	Portulacaceae	Caryophyllales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Mirabilis jalapa	Mirabilis	Nyctaginaceae	Caryophyllales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota

Properties Information

Molecule Weight: 308.29

TPSA？: 129.76999999999998

MolLogP？: -1.676599999999998

Number of H-Donors: 3

Number of H-Acceptors: 5

RingCount: 2

Activities Information

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi
Homo sapiens	Caco-2	IC50	115000.0	nM	10.1016/j.ejmech.2019.07.006
Homo sapiens	HUVEC	Inhibition	-15.0	%	10.1016/j.ejmech.2019.07.006
Mus musculus	B16-F10	Inhibition	42.0	%	10.1016/j.ejmech.2019.07.006
Mus musculus	B16-F10	Inhibition	83.0	%	10.1016/j.ejmech.2019.07.006
Mus musculus	B16-F10	Inhibition	86.0	%	10.1016/j.ejmech.2019.07.006
None	ADMET	Cp	0.2	uM/g	10.1016/j.ejmech.2019.07.006
None	ADMET	Ct	0.05	ng/mg	10.1016/j.ejmech.2019.07.006
None	ADMET	Ct	0.09	ng/mg	10.1016/j.ejmech.2019.07.006
None	ADMET	Ct	20.0	ng/g	10.1016/j.ejmech.2019.07.006
None	Unchecked	Bmax	0.52	nmol	10.1016/j.ejmech.2019.07.006