Lycopene

Relevant Data

Food Additives Approved in the United States

Food Additives Approved by WHO:

  • LYCOPENE [show]

General Information

Chemical nameLycopene
E No.E 160d
INS.160d
CAS number502-65-8
GroupNo

From webgate.ec.europa.eu

Authorisation of the use of this additive in Food Additives

The additive is authorised to be used in the following category(ies):
category(ies) Individual restriction(s)/exception(s) footnote
  • Flavoured fermented milk products including heat-treated products (1.4)(legislation:1129/2011, applicable as from 01/06/2013)

  • Other alcoholic drinks including mixtures of alcoholic drinks with non-alcoholic drinks and spirits with less than 15 % of alcohol (14.2.8)(legislation:1129/2011, applicable as from 01/06/2013)

  • Food supplements supplied in a liquid form (17.2)(legislation:1129/2011, applicable as from 01/06/2013)
  • ML = 30 mg/l
  • Processed cheese (1.7.5)(legislation:1129/2011, applicable as from 01/06/2013)
  • ML = 5 mg/kg , only flavoured processed cheese
  • Edible ices (3)(legislation:1129/2011, applicable as from 01/06/2013)
  • ML = 40 mg/kg
  • Jam, jellies and marmalades and sweetened chestnut puree as defined by Directive 2001/113/EC (4.2.5.2)(legislation:232/2012, applicable as from 01/06/2013)
  • ML = 10 mg/kg , except chestnut puree
  • 31 Maximum individually or in combination with E 120, E 142, E 160d and E 161b
  • Other similar fruit or vegetable spreads (4.2.5.3)(legislation:232/2012, applicable as from 01/06/2013)
  • ML = 10 mg/kg , except crème de pruneaux
  • 31 Maximum individually or in combination with E 120, E 142, E 160d and E 161b
  • Other confectionery including breath refreshening microsweets (5.2)(legislation:1129/2011, applicable as from 01/06/2013)

  • Dietary foods for special medical purposes defined in Directive 1999/21/EC (excluding products from food category 13.1.5) (13.2)(legislation:1129/2011, applicable as from 01/06/2013)

  • Dietary foods for weight control diets intended to replace total daily food intake or an individual meal (the whole or part of the total daily diet) (13.3)(legislation:1129/2011, applicable as from 01/06/2013)

  • Potato-, cereal-, flour- or starch-based snacks (15.1)(legislation:1129/2011, applicable as from 01/06/2013)

  • Processed nuts (15.2)(legislation:1129/2011, applicable as from 01/06/2013)

  • Desserts excluding products covered in category 1, 3 and 4 (16)(legislation:1129/2011, applicable as from 01/06/2013)

  • Food supplements supplied in a solid form including capsules and tablets and similar forms, excluding chewable forms (17.1)(legislation:1129/2011, applicable as from 01/06/2013)

  • Food supplements supplied in a syrup-type or chewable form (17.3)(legislation:1129/2011, applicable as from 01/06/2013)
  • ML = 30 mg/kg
  • Chewing gum (5.3)(legislation:1129/2011, applicable as from 01/06/2013)
  • ML = 300 mg/kg
  • Batters (6.6)(legislation:1129/2011, applicable as from 01/06/2013)
  • ML = 30 mg/kg , only batters for coating
  • Fine bakery wares (7.2)(legislation:1129/2011, applicable as from 01/06/2013)
  • ML = 25 mg/kg
  • Casings and coatings and decorations for meat (8.3.3)(legislation:1129/2011, applicable as from 01/06/2013)
  • ML = 500 mg/kg , only decorations and coatings except edible external coating of pasturmas

  • ML = 30 mg/kg , only edible casings
  • Fish roe (9.3)(legislation:1129/2011, applicable as from 01/06/2013)
  • ML = 30 mg/kg , except Sturgeons' eggs (Caviar)
  • Seasonings and condiments (12.2.2)(legislation:1129/2011, applicable as from 01/06/2013)
  • ML = 50 mg/kg
  • Soups and broths (12.5)(legislation:1129/2011, applicable as from 01/06/2013)
  • ML = 20 mg/kg
  • Sauces (12.6)(legislation:1129/2011, applicable as from 01/06/2013)
  • ML = 50 mg/kg , excluding tomato-based sauces
  • Protein products, excluding products covered in category 1.8 (12.9)(legislation:1129/2011, applicable as from 01/06/2013)
  • ML = 30 mg/kg , only meat and fish analouges based on vegetable proteins
  • Flavoured drinks (14.1.4)(legislation:1129/2011, applicable as from 01/06/2013)
  • ML = 12 mg/l , excluding dilutable drinks
  • Aromatised wine-product cocktails (14.2.7.3)(legislation:1129/2011, applicable as from 01/06/2013)
  • ML = 10 mg/l
  • Decorations, coatings and fillings, except fruit-based fillings covered by category 4.2.4 (5.4)(legislation:1129/2011, applicable as from 01/06/2013)
  • ML = 30 mg/kg , except red coating of hard-sugar coated chocolate confectionery

  • ML = 200 mg/kg , only red coating of hard-sugar coated chocolate confectionery
  • Edible cheese rind (1.7.3)(legislation:1129/2011, applicable as from 01/06/2013)
  • ML = 30 mg/kg
  • Processed fish and fisheries products including molluscs and crustaceans (9.2)(legislation:1129/2011, applicable as from 01/06/2013)
  • ML = 10 mg/kg , only salmon substitute

  • ML = 30 mg/kg , only fish and crustacean paste, precooked crustaceans, surimi, smoked fish
  • Fruit wine and made wine (14.2.4)(legislation:509/2013, applicable as from 24/06/2013)
  • ML = 10 mg/l , excluding wino owocowe markowe

From webgate.ec.europa.eu

Computed Descriptors

Download SDF
2D Structure
CID446925
IUPAC Name(6E,8E,10E,12E,14E,16E,18E,20E,22E,24E,26E)-2,6,10,14,19,23,27,31-octamethyldotriaconta-2,6,8,10,12,14,16,18,20,22,24,26,30-tridecaene
InChIInChI=1S/C40H56/c1-33(2)19-13-23-37(7)27-17-31-39(9)29-15-25-35(5)21-11-12-22-36(6)26-16-30-40(10)32-18-28-38(8)24-14-20-34(3)4/h11-12,15-22,25-32H,13-14,23-24H2,1-10H3/b12-11+,25-15+,26-16+,31-17+,32-18+,35-21+,36-22+,37-27+,38-28+,39-29+,40-30+
InChI KeyOAIJSZIZWZSQBC-GYZMGTAESA-N
Canonical SMILESCC(=CCCC(=CC=CC(=CC=CC(=CC=CC=C(C)C=CC=C(C)C=CC=C(C)CCC=C(C)C)C)C)C)C
Molecular FormulaC40H56
Wikipedialycopene

From Pubchem

Computed Properties

Property Name Property Value
Molecular Weight536.888
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count0
Rotatable Bond Count16
Complexity1050.0
CACTVS Substructure Key Fingerprint A A A D c f B 8 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 A A A A A A A A A A A A A A A A A A G A A A A A A A D A C A A A A C A A A A A A C A A i B C A A A A A A A g A A A I C A A A A A g I A A I A A Q A A A A A A g A A I g A I 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 A A A A A A A A A = =
Topological Polar Surface Area0.0
Monoisotopic Mass536.438
Exact Mass536.438
XLogP3None
XLogP3-AA15.6
Compound Is CanonicalizedTrue
Formal Charge0
Heavy Atom Count40
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count11
Undefined Bond Stereocenter Count0
Isotope Atom Count0
Covalently-Bonded Unit Count1

From Pubchem

Food Additives Biosynthesis/Degradation

ADMET Predicted Profile --- Classification

Model Result Probability
Absorption
Blood-Brain BarrierBBB+0.9607
Human Intestinal AbsorptionHIA+0.9870
Caco-2 PermeabilityCaco2+0.7409
P-glycoprotein SubstrateNon-substrate0.6482
P-glycoprotein InhibitorNon-inhibitor0.7279
Non-inhibitor0.6295
Renal Organic Cation TransporterNon-inhibitor0.8577
Distribution
Subcellular localizationNucleus0.8412
Metabolism
CYP450 2C9 SubstrateNon-substrate0.8257
CYP450 2D6 SubstrateNon-substrate0.7923
CYP450 3A4 SubstrateNon-substrate0.5309
CYP450 1A2 InhibitorNon-inhibitor0.7903
CYP450 2C9 InhibitorNon-inhibitor0.9299
CYP450 2D6 InhibitorNon-inhibitor0.9388
CYP450 2C19 InhibitorNon-inhibitor0.9233
CYP450 3A4 InhibitorNon-inhibitor0.9778
CYP Inhibitory PromiscuityLow CYP Inhibitory Promiscuity0.7109
Excretion
Toxicity
Human Ether-a-go-go-Related Gene InhibitionWeak inhibitor0.8686
Non-inhibitor0.9070
AMES ToxicityNon AMES toxic0.9132
CarcinogensCarcinogens 0.6017
Fish ToxicityHigh FHMT0.8897
Tetrahymena Pyriformis ToxicityHigh TPT0.9646
Honey Bee ToxicityHigh HBT0.8536
BiodegradationReady biodegradable0.8601
Acute Oral ToxicityIII0.8808
Carcinogenicity (Three-class)Warning0.4845

From admetSAR

ADMET Predicted Profile --- Regression

Model Value Unit
Absorption
Aqueous solubility-4.0117LogS
Caco-2 Permeability1.6293LogPapp, cm/s
Distribution
Metabolism
Excretion
Toxicity
Rat Acute Toxicity1.5357LD50, mol/kg
Fish Toxicity0.4653pLC50, mg/L
Tetrahymena Pyriformis Toxicity-0.1259pIGC50, ug/L

From admetSAR

Taxonomic Classification

KingdomOrganic compounds
SuperclassLipids and lipid-like molecules
ClassPrenol lipids
SubclassTetraterpenoids
Intermediate Tree NodesCarotenoids
Direct ParentCarotenes
Alternative Parents
Molecular FrameworkAliphatic acyclic compounds
SubstituentsCarotene - Branched unsaturated hydrocarbon - Unsaturated aliphatic hydrocarbon - Unsaturated hydrocarbon - Olefin - Acyclic olefin - Hydrocarbon - Aliphatic acyclic compound
DescriptionThis compound belongs to the class of organic compounds known as carotenes. These are a type of unsaturated hydrocarbons containing eight consecutive isoprene units. They are characterized by the presence of two end-groups (mostly cyclohexene rings, but also cyclopentene rings or acyclic groups) linked by a long branched alkyl chain. Carotenes belonging form a subgroup of the carotenoids family.

From ClassyFire