PCIDB

KNApSAcK Metabolite C00035060

Metabolite

KNApSAcK Entry

id C00035060
Name beta-Tocotrienol / (-)-beta-Tocotrienol
CAS RN 490-23-3
Standard InChI InChI=1S/C28H42O2/c1-20(2)11-8-12-21(3)13-9-14-22(4)15-10-17-28(7)18-16-25-24(6)26(29)19-23(5)27(25)30-28/h11,13,15,19,29H,8-10,12,14,16-18H2,1-7H3/b21-13+,22-15+/t28-/m1/s1
Standard InChI (Main Layer) InChI=1S/C28H42O2/c1-20(2)11-8-12-21(3)13-9-14-22(4)15-10-17-28(7)18-16-25-24(6)26(29)19-23(5)27(25)30-28/h11,13,15,19,29H,8-10,12,14,16-18H2,1-7H3

Cluster

Phytochemical cluster
KCF-S cluster No. 328

Link

ChEMBL

By standard InChI
By standard InChI Main Layer CHEMBL345478

KEGG

By LinkDB C14154

CTD

By CAS RN C082089

Human Protein / Gene in interaction

1 ChEMBL Protein in interactions

accession description class description compound assay ID (# of activities) # of diseases
(OMIM / KEGG)
P04035 3-hydroxy-3-methylglutaryl-coenzyme A reductase Oxidoreductase CHEMBL345478 CHEMBL692729 (1)
0 / 0

CTD interaction (6)

compound gene gene name gene description interaction interaction type form reference
pmid
C082089 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, beta results in increased expression of ABCB1 increases expression
15269186
C082089 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, beta results in increased expression of CYP3A4 increases expression
15269186
C082089 9611 NCOR1
N-CoR
N-CoR1
TRAC1
hN-CoR
nuclear receptor corepressor 1 tocotrienol, beta inhibits the reaction [NR1I2 protein binds to NCOR1 protein] affects binding
/ decreases reaction
protein 15269186
C082089 8856 NR1I2
BXR
ONR1
PAR
PAR1
PAR2
PARq
PRR
PXR
SAR
SXR
nuclear receptor subfamily 1, group I, member 2 tocotrienol, beta binds to and results in increased activity of NR1I2 protein affects binding
/ increases activity
protein 15269186
C082089 8856 NR1I2
BXR
ONR1
PAR
PAR1
PAR2
PARq
PRR
PXR
SAR
SXR
nuclear receptor subfamily 1, group I, member 2 tocotrienol, beta inhibits the reaction [NR1I2 protein binds to NCOR1 protein] affects binding
/ decreases reaction
protein 15269186
C082089 54658 UGT1A1
BILIQTL1
GNT1
HUG-BR1
UDPGT
UDPGT_1-1
UGT1
UGT1A
UDP glucuronosyltransferase 1 family, polypeptide A1 (EC:2.4.1.17) tocotrienol, beta results in increased expression of UGT1A1 increases expression
15269186