Vatiquinone
2-[(3R,6E,10E)-3-hydroxy-3,7,11,15-tetramethylhexadeca-6,10,14-trienyl]-3,5,6-trimethylcyclohexa-2,5-diene-1,4-dione
Molecular Identity
Vatiquinone
2-[(3R,6E,10E)-3-hydroxy-3,7,11,15-tetramethylhexadeca-6,10,14-trienyl]-3,5,6-trimethylcyclohexa-2,5-diene-1,4-dione
PubChem CID: 46184405
2D Structure
Properties
C29H44O3
Molecular Formula
440.70
Molecular Weight
g/mol
440.3290
Exact Mass
Da
7.4
XLogP
Above Lipinski threshold
54.4
TPSA
Good oral absorption (< 140 A²)
1
H-Bond Donors
3
H-Bond Acceptors
857
Complexity
SMILES
Canonical SMILES
SMILES: CC1=C(C(=O)C(=C(C1=O)C)CCC(C)(CCC=C(C)CCC=C(C)CCC=C(C)C)O)CIsomeric SMILES
SMILES: CC1=C(C(=O)C(=C(C1=O)C)CC[C@@](C)(CC/C=C(\C)/CC/C=C(\C)/CCC=C(C)C)O)CSynonyms(20)
Vatiquinone1213269-98-7EPI-743alpha-Tocotrienol quinonealpha Tocotrienol quinoneVatiquinonaPTC743PTC-7436O85FK9I0XDTXSID901532312,5-Cyclohexadiene-1,4-dione, 2-((3R,6e,10E)-3-hydroxy-3,7,11,15-tetramethyl-6,10,14-hexadecatrien-1-yl)-3,5,6-trimethyl-2-[(3R,6E,10E)-3-Hydroxy-3,7,11,15-tetramethylhexadeca-6,10,14-trien-1-yl]-3,5,6-trimethylcyclohexa-2,5-diene-1,4-dionevatiquinonum2-((3R,6E,10E)-3-HYDROXY-3,7,11,15-TETRAMETHYLHEXADECA-6,10,14-TRIEN-1-YL)-3,5,6-TRIMETHYLCYCLOHEXA-2,5-DIENE-1,4-DIONERefChem:901751
Data from PubChem (NCBI)
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