Crocetin
(2E,4E,6E,8E,10E,12E,14E)-2,6,11,15-tetramethylhexadeca-2,4,6,8,10,12,14-heptaenedioic acid
Molecular Identity
Crocetin
(2E,4E,6E,8E,10E,12E,14E)-2,6,11,15-tetramethylhexadeca-2,4,6,8,10,12,14-heptaenedioic acid
PubChem CID: 5281232
Crocetin is a 20-carbon dicarboxylic acid which is a diterpenoid and natural carotenoid. Found in the crocus flower, it has been administered as an anti-fatigue dietary supplement. It has a role as an antioxidant, a metabolite and a nutraceutical. It is a polyunsaturated dicarboxylic acid, a diterpenoid and a carotenoic acid. It is a conjugate acid of a crocetin(2-).
2D Structure
Properties
C20H24O4
Molecular Formula
328.40
Molecular Weight
g/mol
328.1675
Exact Mass
Da
5.4
XLogP
Above Lipinski threshold
74.6
TPSA
Good oral absorption (< 140 A²)
2
H-Bond Donors
4
H-Bond Acceptors
608
Complexity
SMILES
Canonical SMILES
SMILES: CC(=CC=CC=C(C)C=CC=C(C)C(=O)O)C=CC=C(C)C(=O)OIsomeric SMILES
SMILES: C/C(=C\C=C\C=C(\C=C\C=C(\C(=O)O)/C)/C)/C=C/C=C(/C(=O)O)\CSynonyms(20)
Crocetin27876-94-4Transcrocetintrans-Crocetin8,8'-Diapocarotenedioic acid(2E,4E,6E,8E,10E,12E,14E)-2,6,11,15-tetramethylhexadeca-2,4,6,8,10,12,14-heptaenedioic acidTranscrocetinic acidtranscrocetinatranscrocetine8,8'-Diapocarotene-8,8'-dioic acidLEAF-4L7520CI 751008,8-Diapocarotenedioic acid8,8'-diapo-8,8'-carotenedioic acid20TC155L9C
Data from PubChem (NCBI)
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Drug Network
Trials and conditions connected to Crocetin
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