beta-carotene
1,3,3-trimethyl-2-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-3,7,12,16-tetramethyl-18-(2,6,6-trimethylcyclohexen-1-yl)octadeca-1,3,5,7,9,11,13,15,17-nonaenyl]cyclohexene
Molecular Identity
beta-carotene
1,3,3-trimethyl-2-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-3,7,12,16-tetramethyl-18-(2,6,6-trimethylcyclohexen-1-yl)octadeca-1,3,5,7,9,11,13,15,17-nonaenyl]cyclohexene
PubChem CID: 5280489
Beta-carotene is a cyclic carotene obtained by dimerisation of all-trans-retinol. A strongly-coloured red-orange pigment abundant in plants and fruit and the most active and important provitamin A carotenoid. It has a role as a ferroptosis inhibitor, an antioxidant, a cofactor, a biological pigment, a provitamin A, a mouse metabolite, a plant metabolite and a human metabolite. It is a carotenoid beta-end derivative and a cyclic carotene.
2D Structure
Properties
C40H56
Molecular Formula
536.90
Molecular Weight
g/mol
536.4382
Exact Mass
Da
13.5
XLogP
Above Lipinski threshold
0
TPSA
Good oral absorption (< 140 A²)
0
H-Bond Donors
0
H-Bond Acceptors
1120
Complexity
SMILES
Canonical SMILES
SMILES: Synonyms(20)
beta-carotene7235-40-7beta Carotenebeta,beta-CaroteneBetacaroteneSolateneCarotabenProvateneall-trans-beta-CaroteneSerlaboFood orange 5KPMKProvatenolLucaratinBetaVit
Data from PubChem (NCBI)
This platform is for informational purposes only and does not constitute medical advice. Always consult a qualified healthcare professional.
Drug Network
Trials and conditions connected to beta-carotene
Loading drug network...