PCIDB

KNApSAcK Metabolite C00035044

Metabolite

KNApSAcK Entry

id C00035044
Name alpha-Tocotrienol
CAS RN 1721-51-3
Standard InChI InChI=1S/C29H44O2/c1-20(2)12-9-13-21(3)14-10-15-22(4)16-11-18-29(8)19-17-26-25(7)27(30)23(5)24(6)28(26)31-29/h12,14,16,30H,9-11,13,15,17-19H2,1-8H3/b21-14+,22-16-
Standard InChI (Main Layer) InChI=1S/C29H44O2/c1-20(2)12-9-13-21(3)14-10-15-22(4)16-11-18-29(8)19-17-26-25(7)27(30)23(5)24(6)28(26)31-29/h12,14,16,30H,9-11,13,15,17-19H2,1-8H3

Cluster

Phytochemical cluster
KCF-S cluster No. 328

Link

ChEMBL

By standard InChI
By standard InChI Main Layer CHEMBL121500 CHEMBL120276

KEGG

By LinkDB C14153

CTD

By CAS RN C082032

Species

Summary

Plant class

class name count
Liliopsida 7
asterids 6
rosids 5
eudicotyledons 3

Family (Top 10)

family name count
Poaceae 5
Apiaceae 3
Arecaceae 2
Vitaceae 1
Calophyllaceae 1
Hippocastanaceae 1
Amaranthaceae 1
Bixaceae 1
Ranunculaceae 1
Proteaceae 1

List (21)

* NCBI
KNApSAcK organism *ID *family *plant class *kingdom
Aesculus hippocastanum Hort. 43363 Hippocastanaceae rosids Viridiplantae
Amaranthus hypochondriacus L. 28502 Amaranthaceae eudicotyledons Viridiplantae
Avena sativa L. 4498 Poaceae Liliopsida Viridiplantae
Bixa orellana L. 66672 Bixaceae rosids Viridiplantae
Calophyllum inophyllum L. 158927 Calophyllaceae rosids Viridiplantae
Carum carvi L. 48032 Apiaceae asterids Viridiplantae
Cocos nucifera L. 13894 Arecaceae Liliopsida Viridiplantae
Coriandrum sativum L. 4047 Apiaceae asterids Viridiplantae
Delphinium ajacis L. 37494 Ranunculaceae eudicotyledons Viridiplantae
Elaeis guineensis Jacq. 51953 Arecaceae Liliopsida Viridiplantae
Foeniculum vulgare L. 48037 Apiaceae asterids Viridiplantae
Gevuina avellana Mol. 54938 Proteaceae eudicotyledons Viridiplantae
Hevea brasiliensis Mull.Arg. 3980 Euphorbiaceae rosids Viridiplantae
Hordeum vulgare L. 4513 Poaceae Liliopsida Viridiplantae
Nicotiana tabacum L. 4097 Solanaceae asterids Viridiplantae
Oryza sativa L. 4530 Poaceae Liliopsida Viridiplantae
Rosmarinus officinalis L. 39177 Lamiaceae asterids Viridiplantae
Secale cereale L. 4550 Poaceae Liliopsida Viridiplantae
Vaccinium macrocarpon Aiton 13750 Ericaceae asterids Viridiplantae
Vitis vinifera L. 29760 Vitaceae rosids Viridiplantae
Zea mays L. 4577 Poaceae Liliopsida Viridiplantae

Human Protein / Gene in interaction

CTD interaction (7)

compound gene gene name gene description interaction interaction type form reference
pmid
C082032 5243 ABCB1
ABC20
CD243
CLCS
GP170
MDR1
P-GP
PGY1
ATP-binding cassette, sub-family B (MDR/TAP), member 1 (EC:3.6.3.44) tocotrienol, alpha results in increased expression of ABCB1 increases expression
15269186
C082032 1576 CYP3A4
CP33
CP34
CYP3A
CYP3A3
CYPIIIA3
CYPIIIA4
HLP
NF-25
P450C3
P450PCN1
cytochrome P450, family 3, subfamily A, polypeptide 4 (EC:1.14.13.67 1.14.13.97 1.14.13.32 1.14.13.157) tocotrienol, alpha results in increased expression of CYP3A4 increases expression
15269186
C082032 2944 GSTM1
GST1
GSTM1-1
GSTM1a-1a
GSTM1b-1b
GTH4
GTM1
H-B
MU
MU-1
glutathione S-transferase mu 1 (EC:2.5.1.18) GSTM1 gene polymorphism affects the susceptibility to [Ascorbic Acid co-treated with tocotrienol, alpha] affects cotreatment
/ affects response to substance
gene 15668500
C082032 9611 NCOR1
N-CoR
N-CoR1
TRAC1
hN-CoR
nuclear receptor corepressor 1 tocotrienol, alpha inhibits the reaction [NR1I2 protein binds to NCOR1 protein] affects binding
/ decreases reaction
protein 15269186
C082032 8856 NR1I2
BXR
ONR1
PAR
PAR1
PAR2
PARq
PRR
PXR
SAR
SXR
nuclear receptor subfamily 1, group I, member 2 tocotrienol, alpha binds to and results in increased activity of NR1I2 protein affects binding
/ increases activity
protein 15269186
C082032 8856 NR1I2
BXR
ONR1
PAR
PAR1
PAR2
PARq
PRR
PXR
SAR
SXR
nuclear receptor subfamily 1, group I, member 2 tocotrienol, alpha inhibits the reaction [NR1I2 protein binds to NCOR1 protein] affects binding
/ decreases reaction
protein 15269186
C082032 54658 UGT1A1
BILIQTL1
GNT1
HUG-BR1
UDPGT
UDPGT_1-1
UGT1
UGT1A
UDP glucuronosyltransferase 1 family, polypeptide A1 (EC:2.4.1.17) tocotrienol, alpha results in increased expression of UGT1A1 increases expression
15269186