PCIDB

KNApSAcK Metabolite C00002774

Metabolite

KNApSAcK Entry

id C00002774
Name [6]-Shogaol
CAS RN 555-66-8
Standard InChI InChI=1S/C17H24O3/c1-3-4-5-6-7-8-15(18)11-9-14-10-12-16(19)17(13-14)20-2/h7-8,10,12-13,19H,3-6,9,11H2,1-2H3/b8-7+
Standard InChI (Main Layer) InChI=1S/C17H24O3/c1-3-4-5-6-7-8-15(18)11-9-14-10-12-16(19)17(13-14)20-2/h7-8,10,12-13,19H,3-6,9,11H2,1-2H3

Cluster

Phytochemical cluster No. 32
KCF-S cluster No. 293

Link

ChEMBL

By standard InChI CHEMBL25948
By standard InChI Main Layer CHEMBL25948

KEGG

By LinkDB C10494

CTD

By CAS RN C040115

Species

Summary

Plant class

class name count
Liliopsida 2

Family

family name count
Zingiberaceae 2

List (2)

* NCBI
KNApSAcK organism *ID *family *plant class *kingdom
Amomum melegueta 188482 Zingiberaceae Liliopsida Viridiplantae
Zingiber officinale 94328 Zingiberaceae Liliopsida Viridiplantae

Human Protein / Gene in interaction

8 ChEMBL Protein in interactions

accession description class description compound assay ID (# of activities) # of diseases
(OMIM / KEGG)
P10635 Cytochrome P450 2D6 Cytochrome P450 2D6 CHEMBL25948 CHEMBL1000806 (1)
1 / 0
P09917 Arachidonate 5-lipoxygenase Oxidoreductase CHEMBL25948 CHEMBL940424 (1)
0 / 0
P35354 Prostaglandin G/H synthase 2 Oxidoreductase CHEMBL25948 CHEMBL937780 (1)
0 / 3
P08183 Multidrug resistance protein 1 drug CHEMBL25948 CHEMBL1108200 (1)
1 / 0
P23219 Prostaglandin G/H synthase 1 Oxidoreductase CHEMBL25948 CHEMBL937779 (1)
0 / 0
Q8NER1 Transient receptor potential cation channel subfamily V member 1 TRPV (Vanilloid) CHEMBL25948 CHEMBL1954716 (1) CHEMBL1954853 (1)
CHEMBL1954854 (1)
0 / 0
P08684 Cytochrome P450 3A4 Cytochrome P450 3A4 CHEMBL25948 CHEMBL1000805 (1)
0 / 1
P08908 5-hydroxytryptamine receptor 1A Serotonin receptor CHEMBL25948 CHEMBL1108193 (1) CHEMBL1108194 (1)
CHEMBL1108197 (1) CHEMBL1108198 (1)
1 / 0

CTD interaction (14)

compound gene gene name gene description interaction interaction type form reference
pmid
C040115 581 BAX
BCL2L4
BCL2-associated X protein shogaol results in increased expression of BAX protein increases expression
protein 18384088
C040115 596 BCL2
Bcl-2
PPP1R50
B-cell CLL/lymphoma 2 shogaol results in decreased expression of BCL2 protein decreases expression
protein 18384088
C040115 598 BCL2L1
BCL-XL/S
BCL2L
BCLX
BCLXL
BCLXS
Bcl-X
PPP1R52
bcl-xL
bcl-xS
BCL2-like 1 shogaol results in decreased expression of BCL2L1 protein decreases expression
protein 18384088
C040115 836 CASP3
CPP32
CPP32B
SCA-1
caspase 3, apoptosis-related cysteine peptidase (EC:3.4.22.56) shogaol results in increased cleavage of and results in increased activity of CASP3 protein increases activity
/ increases cleavage
protein 18384088
C040115 842 CASP9
APAF-3
APAF3
ICE-LAP6
MCH6
PPP1R56
caspase 9, apoptosis-related cysteine peptidase (EC:3.4.22.62) shogaol results in increased cleavage of and results in increased activity of CASP9 protein increases activity
/ increases cleavage
protein 18384088
C040115 1649 DDIT3
CEBPZ
CHOP
CHOP-10
CHOP10
GADD153
DNA-damage-inducible transcript 3 Acetylcysteine inhibits the reaction [shogaol results in increased expression of DDIT3 mRNA] decreases reaction
/ increases expression
mRNA 18384088
C040115 1649 DDIT3
CEBPZ
CHOP
CHOP-10
CHOP10
GADD153
DNA-damage-inducible transcript 3 Acetylcysteine inhibits the reaction [shogaol results in increased expression of DDIT3 protein] decreases reaction
/ increases expression
protein 18384088
C040115 1649 DDIT3
CEBPZ
CHOP
CHOP-10
CHOP10
GADD153
DNA-damage-inducible transcript 3 shogaol results in increased expression of DDIT3 mRNA increases expression
mRNA 18384088
C040115 1649 DDIT3
CEBPZ
CHOP
CHOP-10
CHOP10
GADD153
DNA-damage-inducible transcript 3 shogaol results in increased expression of DDIT3 protein increases expression
protein 18384088
C040115 1676 DFFA
DFF-45
DFF1
ICAD
DNA fragmentation factor, 45kDa, alpha polypeptide shogaol results in increased degradation of DFFA protein increases degradation
protein 18384088
C040115 355 FAS
ALPS1A
APO-1
APT1
CD95
FAS1
FASTM
TNFRSF6
Fas cell surface death receptor shogaol results in increased expression of FAS protein increases expression
protein 18384088
C040115 356 FASLG
ALPS1B
APT1LG1
APTL
CD178
CD95-L
CD95L
FASL
TNFSF6
Fas ligand (TNF superfamily, member 6) shogaol results in increased expression of FASLG protein increases expression
protein 18384088
C040115 142 PARP1
ADPRT
ADPRT_1
ADPRT1
ARTD1
PARP
PARP-1
PPOL
pADPRT-1
poly (ADP-ribose) polymerase 1 (EC:2.4.2.30) Acetylcysteine inhibits the reaction [shogaol results in increased cleavage of PARP1 protein] decreases reaction
/ increases cleavage
protein 18384088
C040115 142 PARP1
ADPRT
ADPRT_1
ADPRT1
ARTD1
PARP
PARP-1
PPOL
pADPRT-1
poly (ADP-ribose) polymerase 1 (EC:2.4.2.30) shogaol results in increased cleavage of PARP1 protein increases cleavage
protein 18384088

Related Disease

Diseases related to proteins in ChEMBL interactions

OMIM (3)

OMIM preferred title UniProt
#608902 Drug metabolism, poor, cyp2d6-related P10635
#612244 Inflammatory bowel disease 13; ibd13 P08183
#614674 Periodic fever, menstrual cycle-dependent P08908

KEGG DISEASE (4)

KEGG disease name UniProt
H00036 Osteosarcoma P08684 (marker)
H00017 Esophageal cancer P35354 (related)
H00025 Penile cancer P35354 (related)
H00046 Cholangiocarcinoma P35354 (related)

Diseases related to CTD interactions

1 disease from interactions of metabolites

MeSH disease OMIM compound disease name evidence type reference
pmid
D019636 C040115 Neurodegenerative Diseases therapeutic
22381256