Identification

PhytoHub ID
PHUB002088
Name
Menaquinone-7
Systematic Name
Not Available
Synonyms
  • Vitamin K2
CAS Number
2124-57-4
Average Mass
649.016
Monoisotopic Mass
648.490631301
Chemical Formula
C46H64O2
IUPAC Name
2-(3,7,11,15,19,23,27-heptamethyloctacosa-2,6,10,14,18,22,26-heptaen-1-yl)-3-methylnaphthalene-1,4-dione
InChI Key
RAKQPZMEYJZGPI-UHFFFAOYSA-N
InChI Identifier
InChI=1S/C46H64O2/c1-34(2)18-12-19-35(3)20-13-21-36(4)22-14-23-37(5)24-15-25-38(6)26-16-27-39(7)28-17-29-40(8)32-33-42-41(9)45(47)43-30-10-11-31-44(43)46(42)48/h10-11,18,20,22,24,26,28,30-32H,12-17,19,21,23,25,27,29,33H2,1-9H3
SMILES
CC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCC1=C(C)C(=O)C2=CC=CC=C2C1=O
Structure

Calculated Properties

Solubility (ALOGPS)
2.29e-04 g/l
LogS (ALOGPS)
-6.45
LogP (ALOGPS)
9.58
Hydrogen Acceptors
2
Hydrogen Donors
0
Rotatable Bond Count
20
Polar Surface Area
34.14
Refractivity
216.9146000000001
Polarizability
82.52694707892587
Formal Charge
0
Physiological Charge
0
pKa (strongest basic)
-7.224343414413889
pKa (strongest acidic)
Not Available
Number of Rings
2
Rule of Five
No
Bioavailability
No
Ghose Filter
No
Veber's Rule
No
MDDR-like Rule
No

Taxonomy as Precursor

Family
Terpenoids
Class
Not Available
Sub-class
Not Available

Spectra

No spectra information available

Food Sources

NameGroup
Common buckwheatCereals and cereal products PublicationsShow
NattoSoy and soy products PublicationsShow
SauerkrautVegetables, Cabbages PublicationsShow

Food Sources of its Precursor(s)

No food source information available of its precursor(s)

Metabolism

No metabolism information available

Inter-Individual Variations Metabolism

No inter-individual variations available

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