Bixin
(2E,4E,6E,8E,10E,12E,14E,16Z,18E)-20-methoxy-4,8,13,17-tetramethyl-20-oxoicosa-2,4,6,8,10,12,14,16,18-nonaenoic acid
Molecular Identity
Bixin
(2E,4E,6E,8E,10E,12E,14E,16Z,18E)-20-methoxy-4,8,13,17-tetramethyl-20-oxoicosa-2,4,6,8,10,12,14,16,18-nonaenoic acid
PubChem CID: 5281226
Bixin is a carotenoic acid that is the 6'-monomethyl ester of 9'-cis-6,6'-diapocarotene-6,6'-dioic acid. It has a role as an antioxidant, a biological pigment, an insulin-sensitizing drug, an anti-inflammatory agent, an apoptosis inducer and a food colouring. It is a methyl ester, a carotenoic acid and a dicarboxylic acid monoester.
2D Structure
Properties
C25H30O4
Molecular Formula
394.50
Molecular Weight
g/mol
394.2144
Exact Mass
Da
7.5
XLogP
Above Lipinski threshold
63.6
TPSA
Good oral absorption (< 140 A²)
1
H-Bond Donors
4
H-Bond Acceptors
823
Complexity
SMILES
Canonical SMILES
SMILES: CC(=CC=CC=C(C)C=CC=C(C)C=CC(=O)OC)C=CC=C(C)C=CC(=O)OIsomeric SMILES
SMILES: C/C(=C\C=C\C=C(/C)\C=C\C=C(\C)/C=C/C(=O)OC)/C=C/C=C(\C)/C=C/C(=O)OSynonyms(20)
Bixin6983-79-5(2E,4E,6E,8E,10E,12E,14E,16Z,18E)-20-methoxy-4,8,13,17-tetramethyl-20-oxoicosa-2,4,6,8,10,12,14,16,18-nonaenoic acidDTXSID1024629Methyl (9-cis)-hydrogen-6,6'-diapo-psi,psi-carotenedioate9L7T4VB66GAnnatto (E 160b)E160bCHEBI:3136DTXCID3045352,4,6,8,10,12,14,16,18-Eicosanonaenedioic acid, 4,8,13,17-tetramethyl-, monomethyl ester, (2E,4Z,6E,8E,10E,12E,14E,16E,18E)-RefChem:29838230-248-7cis-Bixin20-methoxy-4,8,13,17-tetramethyl-20-oxoicosa-2,4,6,8,10,12,14,16,18-nonaenoic acid
Data from PubChem (NCBI)
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