Details of the Drug Metabolized by Drug-Metabolizing Enzyme (DME)

General Information of Drug (ID: DR2641)
Drug Name
Menaquinone 4
Synonyms
K2(sub 20); Kaytwo; Kefton-2; Menaquinone 4; Menaquinone K4; Menaquinone-4; Menatetrenona; Menatetrenona [INN-Spanish]; Menatetrenone [INN:JAN]; Menatetrenonum; Menatetrenonum [INN-Latin]; Vitamin K2(sub 20); Vitamin MK 4; menatetrenone; vitamin K2; 11032-49-8; 2-Methyl-3-geranylgeranyl-1,4-naphthoquinone; 2-Methyl-3-trans-tetraprenyl-1,4-naphthoquinone; 2-methyl-3-[(2E,6E,10E)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenyl]naphthalene-1,4-dione; 863-61-6; C31H40O2; CHEBI:78277; E3100; MK-4; MK4; MLS000028742; UNII-27Y876D139
Indication Osteoporosis [ICD11: FB83] Investigative [1]
Structure
3D MOL 2D MOL
Pharmaceutical Properties Molecular Weight 444.6 Topological Polar Surface Area 34.1
Heavy Atom Count 33 Rotatable Bond Count 11
Hydrogen Bond Donor Count 0 Hydrogen Bond Acceptor Count 2
Cross-matching ID
PubChem CID
5282367
ChEBI ID
CHEBI:78277
CAS Number
863-61-6
Formula
C31H40O2
Canonical SMILES
CC1=C(C(=O)C2=CC=CC=C2C1=O)CC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)C
InChI
1S/C31H40O2/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/h7-8,12,14,16,18-20H,9-11,13,15,17,21H2,1-6H3/b23-14+,24-16+,25-20+
InChIKey
DKHGMERMDICWDU-GHDNBGIDSA-N
The Metabolic Roadmap of This Drug
The Full List of Drug Metabolites (DM) of This Drug
DM Name DM ID PubChem ID Reaction DM Level REF
Menaquinone metabolite 1 DM005476
6441039
Oxidation - Hydrolyzationn 1 [3]
Menaquinone metabolite 2 DM005479 N. A. Oxidation - Omega-carboxylation 1 [3]
K-acid DM005480
6452488
Oxidation - beta-oxidation 2 [3]
Menaquinone metabolite 3 DM005477
10434409
Other reaction - Apoxydation 2 [3]
K-acid DM005481 N. A. Unclear 3 [3]
Menaquinone 4 DM005478 N. A. Unclear 3 [3]
The Full List of Metabolic Reaction (MR) of This Drug
MR ID Reactant Product MR Type DME REF
MR005830 Menaquinone 4 Menaquinone metabolite 1 Oxidation - Hydrolyzationn Unclear [3]
MR005833 Menaquinone 4 Menaquinone metabolite 2 Oxidation - Omega-carboxylation Unclear [3]
MR005831 Menaquinone metabolite 1 Menaquinone metabolite 3 Other reaction - Apoxydation Unclear [3]
MR005834 Menaquinone metabolite 2 K-acid Oxidation - beta-oxidation Unclear [3]
MR005835 K-acid K-acid Unclear Unclear [3]
MR005832 Menaquinone metabolite 3 Menaquinone 4 Unclear Unclear [3]
⏷ Show the Full List of 6 MR(s)
Drug-Metabolizing Enzyme(s) (DME) Metabolizing This Drug
DME Name DME Info Species Uniprot ID EC Number REF
Unclear metabolic mechanism (DME-unclear) DME1271 Faecalibacterium prausnitzii Not Available Not Available [2]
References
1 Maximal dose-response of vitamin-K2 (menaquinone-4) on undercarboxylated osteocalcin in women with osteoporosis. Int J Vitam Nutr Res. 2020 Jan;90(1-2):42-48.
2 Quinones are growth factors for the human gut microbiota. Microbiome. 2017 Dec 20;5(1):161.
3 Pharmacodynamics of menatetrenone and effects on bone metabolism in continuous ambulatory peritoneal dialysis patients

If you find any error in data or bug in web service, please kindly report it to Dr. Yin and Dr. Li.