EcoDrugPlus


Trade Names	AQUAMEPHYTON KONAKION MEPHYTON PHYTONADIONE VITAMIN K1
Synonyms	Aquamephyton Kanavit Konakion Konakion mm Konakion mm paed Mephyton NSC-270681 Neokay Orakay Phylloquinone Phylloquinone e-form Phytomenadione Phytonadione Vitamin K 1 Vitamin k1
Status
Molecule Category	Free-form
UNII	MLF3D1712D
EPA CompTox	DTXSID8023472


InChI Key	MBWXNTAXLNYFJB-NKFFZRIASA-N
Smiles	CC1=C(C/C=C(\C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C)C(=O)c2ccccc2C1=O
InChI	InChI=1S/C31H46O2/c1-22(2)12-9-13-23(3)14-10-15-24(4)16-11-17-25(5)20-21-27-26(6)30(32)28-18-7-8-19-29(28)31(27)33/h7-8,18-20,22-24H,9-17,21H2,1-6H3/b25-20+/t23-,24-/m1/s1

Property Name	Value
Molecular Formula	C31H46O2
Molecular Weight	450.71
AlogP	9.16
Hydrogen Bond Acceptor	2.0
Number of Rotational Bond	14.0
Polar Surface Area	34.14
Molecular species	NEUTRAL
Aromatic Rings	1.0
Heavy Atoms	33.0

	EC50(nM)	IC50(nM)	Kd(nM)	Ki(nM)	Inhibition(%)
Human herpesvirus 4	-	-	-	-	92.1-100

Resources	Reference
ChEBI	18067
ChEMBL	CHEMBL1550
DrugBank	DB01022
DrugCentral	2843
FDA SRS	MLF3D1712D
Human Metabolome Database	HMDB0004198
PDB	PQN
SureChEMBL	SCHEMBL3882
ZINC	ZINC000003831332

EcoDrug+ was developed under the PREMIER Innovative Medicines Initiative 2 Joint Undertaking (JU) under grant agreement No 875508. The JU receives support from the EU’s Horizon 2020 research and innovation programme and the European Federation of Pharmaceutical Industries and Associations (EFPIA). The views reflect only the authors’ perspective and the JU is not responsible for any use that may be made of the information EcoDrug+ contains.

Elements of EcoDrug+ were developed under the Biocenter Finland Drug Discovery and Chemical Biology network. CSC-IT Center for Science Ltd is thanked for providing computational resources. Credit is given to Ensembl for collecting species images (provided under public domain licences such as Wikimedia and NHGRI).

Content of EcoDrug+ is provided without guarantee for correctness.

Cite Us:

Ashenafi Legehar, Siobhán Monaghan, Mael Briand, Akseli Niemelä, Leo Ghemtio, Ziaurrehman Tanoli, A Ross Brown, Charles R Tyler, Henri Xhaard, EcoDrug PLUS: an advanced database for drug target conservation analysis and environmental risk assessment, Nucleic Acids Research, 2025, gkaf1251 Read...

This work is licensed under Creative Commons Attribution-ShareAlike 4.0 International License

Last update: Monday, 3 November 2025

PHYTONADIONE

Structure

Physicochemical Descriptors

Pharmacology

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