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-methyl-1,4-dihydronaphthalene-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 Food Phytochemical

Family
Terpenoids
Class
Not Available
Sub-class
Not Available

Classyfire Taxonomy

Kingdom Name
Organic compounds
Class
Prenol lipids
Super-class
Lipids and lipid-like molecules
Sub-class
Sesquaterpenoids
Direct Parent Name
Sesquaterpenoids
Alternative Parent Names
["Hydrocarbon derivatives", "Naphthalenes", "Organic oxides", "Organooxygen compounds"]
External Descriptor Annotations
["a menaquinone"]
Substituent Names
["Aromatic homopolycyclic compound", "Benzenoid", "Hydrocarbon derivative", "Naphthalene", "Organic oxide", "Organic oxygen compound", "Organooxygen compound", "Sesquaterpenoid"]

Spectra from Online Resources

No spectra information available

Food Sources

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

Role as Biomarker of intake

No roles as Biomarker of intake found

Metabolism

No metabolism information available

Inter-Individual Variations in Metabolism

No data on inter-individual variations available

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