PCIDB

KNApSAcK Metabolite C00001242

Metabolite

KNApSAcK Entry

id C00001242
Name Allicin
CAS RN 539-86-6
Standard InChI InChI=1S/C6H10OS2/c1-3-5-8-9(7)6-4-2/h3-4H,1-2,5-6H2
Standard InChI (Main Layer) InChI=1S/C6H10OS2/c1-3-5-8-9(7)6-4-2/h3-4H,1-2,5-6H2

Cluster

Phytochemical cluster
KCF-S cluster No. 7944

Link

ChEMBL

By standard InChI CHEMBL359965
By standard InChI Main Layer CHEMBL359965

KEGG

By LinkDB C07600

CTD

By CAS RN C006452

Species

Summary

Plant class

class name count
Liliopsida 2

Family

family name count
Amaryllidaceae 2

List (2)

* NCBI
KNApSAcK organism *ID *family *plant class *kingdom
Allium cepa 4679 Amaryllidaceae Liliopsida Viridiplantae
Allium sativum 4682 Amaryllidaceae Liliopsida Viridiplantae

Human Protein / Gene in interaction

7 ChEMBL Protein in interactions

accession description class description compound assay ID (# of activities) # of diseases
(OMIM / KEGG)
P07858 Cathepsin B C1A CHEMBL359965 CHEMBL1225519 (1) CHEMBL1225531 (1)
0 / 1
P07711 Cathepsin L1 C1A CHEMBL359965 CHEMBL1225521 (1) CHEMBL1225532 (1)
0 / 0
Q8NER1 Transient receptor potential cation channel subfamily V member 1 TRPV (Vanilloid) CHEMBL359965 CHEMBL1224912 (1)
0 / 0
O75762 Transient receptor potential cation channel subfamily A member 1 Unclassified protein CHEMBL359965 CHEMBL1118236 (1) CHEMBL1224917 (1)
1 / 0
P37088 Amiloride-sensitive sodium channel subunit alpha NA CHEMBL359965 CHEMBL2051311 (1)
2 / 2
P51168 Amiloride-sensitive sodium channel subunit beta Unclassified protein CHEMBL359965 CHEMBL2051311 (1)
3 / 3
P51170 Amiloride-sensitive sodium channel subunit gamma Unclassified protein CHEMBL359965 CHEMBL2051311 (1)
2 / 3

CTD interaction (6)

compound gene gene name gene description interaction interaction type form reference
pmid
C006452 3383 ICAM1
BB2
CD54
P3.58
intercellular adhesion molecule 1 allicin inhibits the reaction [TNF protein results in increased expression of ICAM1 protein] decreases reaction
/ increases expression
protein 12723939
C006452 7124 TNF
DIF
TNF-alpha
TNFA
TNFSF2
tumor necrosis factor allicin inhibits the reaction [TNF protein results in increased abundance of Hydrogen Peroxide] decreases reaction
/ increases abundance
protein 12723939
C006452 7124 TNF
DIF
TNF-alpha
TNFA
TNFSF2
tumor necrosis factor allicin inhibits the reaction [TNF protein results in increased abundance of Nitric Oxide] decreases reaction
/ increases abundance
protein 12723939
C006452 7124 TNF
DIF
TNF-alpha
TNFA
TNFSF2
tumor necrosis factor allicin inhibits the reaction [TNF protein results in increased expression of ICAM1 protein] decreases reaction
/ increases expression
protein 12723939
C006452 7442 TRPV1
VR1
transient receptor potential cation channel, subfamily V, member 1 TRPV1 protein affects the susceptibility to allicin affects response to substance
protein 17110039
C006452 7442 TRPV1
VR1
transient receptor potential cation channel, subfamily V, member 1 TRPV1 protein mutant form results in increased susceptibility to allicin increases response to substance
protein 17110039

Related Disease

Diseases related to proteins in ChEMBL interactions

OMIM (6)

OMIM preferred title UniProt
#211400 Bronchiectasis with or without elevated sweat chloride 1; besc1 P51168
#613021 Bronchiectasis with or without elevated sweat chloride 2; besc2 P37088
#613071 Bronchiectasis with or without elevated sweat chloride 3; besc3 P51170
#615040 Episodic pain syndrome, familial, 1; feps1 O75762
#177200 Liddle syndrome P51168
P51170
#264350 Pseudohypoaldosteronism, type i, autosomal recessive; pha1b P37088
P51168

KEGG DISEASE (4)

KEGG disease name UniProt
H00932 Tropical calcific pancreatitis P07858 (related)
H00243 Hyperkalemic distal renal tubular acidosis (RTA type 4) P37088 (related)
P51168 (related)
P51170 (related)
H00892 Bronchiectasis with or without elevated sweat chloride P37088 (related)
P51168 (related)
P51170 (related)
H00242 Liddle syndrome P51168 (related)
P51170 (related)