precursor

Showing entry for Menaquinone-7

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
Similar Structures

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
Miscellaneous terpenoids
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 Phytohub

Food Sources

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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