PCIDB

KNApSAcK Metabolite C00035077

Metabolite

KNApSAcK Entry

id C00035077
Name delta-Tocotrienol
CAS RN 25612-59-3
Standard InChI InChI=1S/C27H40O2/c1-20(2)10-7-11-21(3)12-8-13-22(4)14-9-16-27(6)17-15-24-19-25(28)18-23(5)26(24)29-27/h10,12,14,18-19,28H,7-9,11,13,15-17H2,1-6H3/b21-12+,22-14+/t27-/m1/s1
Standard InChI (Main Layer) InChI=1S/C27H40O2/c1-20(2)10-7-11-21(3)12-8-13-22(4)14-9-16-27(6)17-15-24-19-25(28)18-23(5)26(24)29-27/h10,12,14,18-19,28H,7-9,11,13,15-17H2,1-6H3

Cluster

Phytochemical cluster
KCF-S cluster No. 328

Link

ChEMBL

By standard InChI CHEMBL121305
By standard InChI Main Layer CHEMBL121305

KEGG

By LinkDB C14156

CTD

By CAS RN C082097

Species

Summary

Plant class

class name count
rosids 8
asterids 6
Liliopsida 6
Magnoliophyta 4
eudicotyledons 1

Family (Top 10)

family name count
Poaceae 4
Canellaceae 4
Apiaceae 3
Arecaceae 2
Solanaceae 1
Hypericaceae 1
Juglandaceae 1
Sapindaceae 1
Euphorbiaceae 1
Hippocastanaceae 1

List (25)

* 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
Cinnamosma fragrans 132964 Canellaceae Magnoliophyta Viridiplantae
Cinnamosma macrocarpa 132964 Canellaceae Magnoliophyta Viridiplantae
Cinnamosma madagascariensis 132965 Canellaceae Magnoliophyta Viridiplantae
Cocos nucifera L. 13894 Arecaceae Liliopsida Viridiplantae
Coriandrum sativum L. 4047 Apiaceae asterids Viridiplantae
Cratoxylum sumatranum 198760 Hypericaceae rosids Viridiplantae
Elaeis guineensis Jacq. 51953 Arecaceae Liliopsida Viridiplantae
Foeniculum vulgare L. 48037 Apiaceae asterids Viridiplantae
Garcinia multiflora 1009474 Clusiaceae rosids Viridiplantae
Hevea brasiliensis Mull.Arg. 3980 Euphorbiaceae rosids Viridiplantae
Hordeum vulgare L. 4513 Poaceae Liliopsida Viridiplantae
Juglans regia L. 51240 Juglandaceae rosids Viridiplantae
Litchi chinensis Sonn. 151069 Sapindaceae rosids Viridiplantae
Nicotiana tabacum L. 4097 Solanaceae asterids Viridiplantae
Oryza sativa L. 4530 Poaceae Liliopsida Viridiplantae
Pleodendron costaricense 549616 Canellaceae Magnoliophyta Viridiplantae
Rosmarinus officinalis L. 39177 Lamiaceae asterids Viridiplantae
Vaccinium macrocarpon Aiton 13750 Ericaceae asterids Viridiplantae
Zea mays L. 4577 Poaceae Liliopsida Viridiplantae

Human Protein / Gene in interaction

1 ChEMBL Protein in interactions

accession description class description compound assay ID (# of activities) # of diseases
(OMIM / KEGG)
O43451 Maltase-glucoamylase, intestinal Hydrolase CHEMBL121305 CHEMBL856853 (1)
0 / 0

CTD interaction (11)

compound gene gene name gene description interaction interaction type form reference
pmid
C082097 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, delta results in increased expression of ABCB1 increases expression
15269186
C082097 595 CCND1
BCL1
D11S287E
PRAD1
U21B31
cyclin D1 tocotrienol, delta results in decreased expression of CCND1 protein decreases expression
protein 21453743
C082097 1499 CTNNB1
CTNNB
MRD19
armadillo
catenin (cadherin-associated protein), beta 1, 88kDa tocotrienol, delta results in decreased expression of CTNNB1 protein decreases expression
protein 21453743
C082097 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, delta results in increased expression of CYP3A4 increases expression
15269186
C082097 3725 JUN
AP-1
AP1
c-Jun
jun proto-oncogene tocotrienol, delta results in decreased expression of JUN protein decreases expression
protein 21453743
C082097 4316 MMP7
MMP-7
MPSL1
PUMP-1
matrix metallopeptidase 7 (matrilysin, uterine) (EC:3.4.24.23) tocotrienol, delta results in decreased expression of MMP7 protein decreases expression
protein 21453743
C082097 9611 NCOR1
N-CoR
N-CoR1
TRAC1
hN-CoR
nuclear receptor corepressor 1 tocotrienol, delta inhibits the reaction [NR1I2 protein binds to NCOR1 protein] affects binding
/ decreases reaction
protein 15269186
C082097 8856 NR1I2
BXR
ONR1
PAR
PAR1
PAR2
PARq
PRR
PXR
SAR
SXR
nuclear receptor subfamily 1, group I, member 2 tocotrienol, delta binds to and results in increased activity of NR1I2 protein affects binding
/ increases activity
protein 15269186
C082097 8856 NR1I2
BXR
ONR1
PAR
PAR1
PAR2
PARq
PRR
PXR
SAR
SXR
nuclear receptor subfamily 1, group I, member 2 tocotrienol, delta inhibits the reaction [NR1I2 protein binds to NCOR1 protein] affects binding
/ decreases reaction
protein 15269186
C082097 54658 UGT1A1
BILIQTL1
GNT1
HUG-BR1
UDPGT
UDPGT_1-1
UGT1
UGT1A
UDP glucuronosyltransferase 1 family, polypeptide A1 (EC:2.4.1.17) tocotrienol, delta results in increased expression of UGT1A1 increases expression
15269186
C082097 7471 WNT1
BMND16
INT1
OI15
wingless-type MMTV integration site family, member 1 tocotrienol, delta results in decreased expression of WNT1 protein decreases expression
protein 21453743