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

General Information of Drug (ID: DR5948)
Drug Name
TOCOTRIENOL
Synonyms 2-Methyl-2-[[4,8,12-trimethyl-3(E),7(E),11(E)]-tridecatrienyl]-3,4-dihydro-2H-benzo[b]pyran-6-ol
Indication Hypertriglyceridaemia [ICD11: 5C80] Approved [1]
Structure
3D MOL 2D MOL
Pharmaceutical Properties Molecular Weight 382.6 Topological Polar Surface Area 29.5
Heavy Atom Count 28 Rotatable Bond Count 9
Hydrogen Bond Donor Count 1 Hydrogen Bond Acceptor Count 2
Cross-matching ID
PubChem CID
9929901
CAS Number
6829-55-6
TTD Drug ID
D03VFL
Formula
C26H38O2
Canonical SMILES
CC(=CCC/C(=C/CC/C(=C/CCC1(CCC2=C(O1)C=CC(=C2)O)C)/C)/C)C
InChI
InChI=1S/C26H38O2/c1-20(2)9-6-10-21(3)11-7-12-22(4)13-8-17-26(5)18-16-23-19-24(27)14-15-25(23)28-26/h9,11,13-15,19,27H,6-8,10,12,16-18H2,1-5H3/b21-11+,22-13+
InChIKey
GJJVAFUKOBZPCB-ZGRPYONQSA-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
13'-Carboxychromanol(13'-COOH,3DB) DM018844 N. A. Multi-steps Reaction - W-hydroxylation; oxidation 1 [2]
13'-Carboxychromanol(13COOH,2DB) DM018845 N. A. Reduction - Hydrogenation 2 [2]
Sulfated 13'-COOH DM018846 N. A. Conjugation - Sulfation 2 [2]
11'-Carboxychromanol(11'-COOH) DM018847 N. A. Oxidation - eta-oxidation 3 [2]
Sulfated 13'COOH DM018848 N. A. Conjugation - Sulfation 3 [2]
9Carboxychromanol(9'-COOH) DM018849 N. A. Multi-steps Reaction - Somerization; Reduction; B-oxidation 4 [2]
Sulfated 11'COOH DM018850 N. A. Conjugation - Sulfation 4 [2]
Carboxyethyl hydroxychroman(CEHC) DM018851 N. A. Unclear - Unclear 5 [2]
Sulfated 9'-COOH DM018852 N. A. Conjugation - Sulfation 5 [2]
Sulfated CEHC DM018853 N. A. Unclear - Unclear 6 [2]
The Full List of Metabolic Reaction (MR) of This Drug
MR ID Reactant Product MR Type DME REF
MR011221 TOCOTRIENOL 13'-Carboxychromanol(13'-COOH,3DB) Multi-steps Reaction - W-hydroxylation; oxidation CYP4F2 [2]
MR011222 13'-Carboxychromanol(13'-COOH,3DB) 13'-Carboxychromanol(13COOH,2DB) Reduction - Hydrogenation Unclear [2]
MR011223 13'-Carboxychromanol(13'-COOH,3DB) Sulfated 13'-COOH Conjugation - Sulfation Unclear [2]
MR011224 13'-Carboxychromanol(13COOH,2DB) 11'-Carboxychromanol(11'-COOH) Oxidation - eta-oxidation Unclear [2]
MR011225 13'-Carboxychromanol(13COOH,2DB) Sulfated 13'COOH Conjugation - Sulfation Unclear [2]
MR011226 11'-Carboxychromanol(11'-COOH) 9Carboxychromanol(9'-COOH) Multi-steps Reaction - Somerization; Reduction; B-oxidation Unclear [2]
MR011227 11'-Carboxychromanol(11'-COOH) Sulfated 11'COOH Conjugation - Sulfation Unclear [2]
MR011228 9Carboxychromanol(9'-COOH) Carboxyethyl hydroxychroman(CEHC) Unclear - Unclear Unclear [2]
MR011229 9Carboxychromanol(9'-COOH) Sulfated 9'-COOH Conjugation - Sulfation Unclear [2]
MR011230 Carboxyethyl hydroxychroman(CEHC) Sulfated CEHC Unclear - Unclear Unclear [2]
⏷ Show the Full List of 10 MR(s)
Drug-Metabolizing Enzyme(s) (DME) Metabolizing This Drug
DME Name DME Info Species Uniprot ID EC Number REF
Cytochrome P450 4F2 (CYP4F2) DME0025 Homo sapiens
CP4F2_HUMAN
1.14.13.30
[2]
References
1 Vitamin E: tocopherols and tocotrienols as potential radiation countermeasures. J Radiat Res. 2013 Nov 1;54(6):973-88.
2 Metabolism of natural forms of vitamin E and biological actions of vitamin E metabolites

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