vitamin K2   

GtoPdb Ligand ID: 2771

Synonyms: menaquinone-2
Comment: Vitamin K2 (menaquinone) is characterised by a varying number of isoprenoid residues in the side chain. The structure shown here is an example with 2 isoprenoid groups (menaquinone-2).
2D Structure
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Physico-chemical Properties
Hydrogen bond acceptors 2
Hydrogen bond donors 0
Rotatable bonds 5
Topological polar surface area 34.14
Molecular weight 308.18
XLogP 5.07
No. Lipinski's rules broken 1
SMILES / InChI / InChIKey
Canonical SMILES CC(=CCC1=C(C)C(=O)c2c(C1=O)cccc2)CCC=C(C)C
Isomeric SMILES C/C(=C\CC1=C(C)C(=O)c2c(C1=O)cccc2)/CCC=C(C)C
InChI InChI=1S/C21H24O2/c1-14(2)8-7-9-15(3)12-13-17-16(4)20(22)18-10-5-6-11-19(18)21(17)23/h5-6,8,10-12H,7,9,13H2,1-4H3/b15-12+
InChI Key PTWSIIUEOFZCHW-NTCAYCPXSA-N
Classification
Compound class Metabolite or derivative
IUPAC Name
2-(3,7-dimethylocta-2,6-dienyl)-3-methylnaphthalene-1,4-dione
Synonyms
menaquinone-2
Database Links
CAS Registry No. 84-81-1 (source: Scifinder)
ChEMBL Ligand CHEMBL263382
GtoPdb PubChem SID 135651595
PubChem CID 5280374
Search Google for chemical match using the InChIKey PTWSIIUEOFZCHW-NTCAYCPXSA-N
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Search UniChem for chemical match using the InChIKey PTWSIIUEOFZCHW-NTCAYCPXSA-N
Search UniChem for chemicals with the same backbone PTWSIIUEOFZCHW
Wikipedia Vitamin_k