Chemical Component Summary

NameBETA-CAROTENE
Identifiers1,3,3-trimethyl-2-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-3,7,12,16-tetramethyl-18-(2,6,6-trimethyl-1-cyclohexenyl)octadeca-1,3,5,7,9,11,13,15,17-nonaenyl]cyclohexene
FormulaC40 H56
Molecular Weight536.873
TypeNON-POLYMER
Isomeric SMILESCC1=C(C(CCC1)(C)C)\C=C\C(=C\C=C\C(=C\C=C\C=C(/C)\C=C\C=C(/C)\C=C\C2=C(CCCC2(C)C)C)\C)\C
InChIInChI=1S/C40H56/c1-31(19-13-21-33(3)25-27-37-35(5)23-15-29-39(37,7)8)17-11-12-18-32(2)20-14-22-34(4)26-28-38-36(6)24-16-30-40(38,9)10/h11-14,17-22,25-28H,15-16,23-24,29-30H2,1-10H3/b12-11+,19-13+,20-14+,27-25+,28-26+,31-17+,32-18+,33-21+,34-22+
InChIKeyOENHQHLEOONYIE-JLTXGRSLSA-N

Chemical Details

Formal Charge0
Atom Count96
Chiral Atom Count0
Bond Count97
Aromatic Bond Count0

Drug Info: DrugBank

DrugBank IDDB06755 
NameBeta carotene
Groups
  • approved
  • nutraceutical
DescriptionBeta-carotene, with the molecular formula C40H56, belongs to the group of carotenoids consisting of isoprene units. The presence of long chains of conjugated double bonds donates beta-carotene with specific colors.[T162] It is the most abundant form of carotenoid and it is a precursor of the vitamin A. Beta-carotene is composed of two retinyl groups. It is an antioxidant that can be found in yellow, orange and green leafy vegetables and fruits.[T158] Under the FDA, beta-carotene is considered as a generally recognized as safe substance (GRAS).[L2191]
Synonyms
  • beta-carotene
  • all-trans-β-carotene
  • Betacarotene
  • Beta carotene
  • β-Karotin
Brand Names
  • Beta A With Vitamins C and E Plus Selenium
  • ProFola
  • Beta Carotene - Capsule 25000 Iu
  • Beta-carotene Cap 25000unit
  • Formula 14 Dietary Supplement
IndicationBeta-carotene is FDA approved to be used as a nutrient supplement and to be even added in infant formula as a source of vitamin A.[L2191] It is also approved to be used as a color additive for food products,[L2192] drugs (with the label of "only as a color additive")[L2193] and cosmetics.[L2194] It is used commonly for the reduction of photosensitivity in patients with erythropoietic protoporphyria and other photosensitivity diseases.[A32485]
Categories
  • Alimentary Tract and Metabolism
  • Alkenes
  • Biological Factors
  • Carotenoids
  • Cyclohexanes
ATC-Code
  • A11CA02
  • D02BB01
CAS number7235-40-7

Drug Targets

NameTarget SequencePharmacological ActionActions
Free radicals-unknownbinder
Beta,beta-carotene 15,15'-dioxygenaseMDIIFGRNRKEQLEPVRAKVTGKIPAWLQGTLLRNGPGMHTVGESRYNHW...unknownsubstrate
Very low-density lipoprotein receptorMGTSALWALWLLLALCWAPRESGATGTGRKAKCEPSQFQCTNGRCITLLW...unknownsubstrate
Retinol-binding protein 1MPVDFTGYWKMLVNENFEEYLRALDVNVALRKIANLLKPDKEIVQDGDHM...unknownsubstrate
Retinol-binding protein 2MTRDQNGTWEMESNENFEGYMKALDIDFATRKIAVRLTQTKVIDQDGDNF...unknownsubstrate
View More
Drug Info/Drug Targets: DrugBank 3.0: a comprehensive resource for 'omics' research on drugs. Knox C, Law V, Jewison T, Liu P, Ly S, Frolkis A, Pon A, Banco K, Mak C, Neveu V, Djoumbou Y, Eisner R, Guo AC, Wishart DS. Nucleic Acids Res. 2011 Jan; 39 (Database issue):D1035-41. | PMID:21059682

Related Resource References

Resource NameReference
Pharos CHEMBL1293
PubChem 5280489
ChEMBL CHEMBL1293
ChEBI CHEBI:17579