Phylloquinone
2-methyl-3-[(E,7R,11R)-3,7,11,15-tetramethylhexadec-2-enyl]naphthalene-1,4-dione
Molecular Identity
Phylloquinone
2-methyl-3-[(E,7R,11R)-3,7,11,15-tetramethylhexadec-2-enyl]naphthalene-1,4-dione
PubChem CID: 5284607
Phylloquinone is a member of the class of phylloquinones that consists of 1,4-naphthoquinone having methyl and phytyl groups at positions 2 and 3 respectively. The parent of the class of phylloquinones. It has a role as a cofactor, a plant metabolite and a human metabolite. It is a member of phylloquinones and a vitamin K.
2D Structure
Properties
C31H46O2
Molecular Formula
450.70
Molecular Weight
g/mol
450.3498
Exact Mass
Da
10.9
XLogP
Above Lipinski threshold
34.1
TPSA
Good oral absorption (< 140 A²)
0
H-Bond Donors
2
H-Bond Acceptors
696
Complexity
SMILES
Canonical SMILES
SMILES: CC1=C(C(=O)C2=CC=CC=C2C1=O)CC=C(C)CCCC(C)CCCC(C)CCCC(C)CIsomeric SMILES
SMILES: CC1=C(C(=O)C2=CC=CC=C2C1=O)C/C=C(\C)/CCC[C@H](C)CCC[C@H](C)CCCC(C)CSynonyms(20)
VITAMIN K1phytonadione84-80-0PhylloquinonePhytomenadionePhytylmenadioneMephyton3-PhytylmenadioneMonodionSynthex PPhyllochinonKinadionKephtonMono-KayCombinal K1
Data from PubChem (NCBI)
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Drug Network
Trials and conditions connected to Phylloquinone
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