InterPAD - DETAILS

allicin, allimin, allylthiosulfinate, allylthiosulphinic acid allyl ester, diallyl disulfide-oxide, thio-2-propene-1-sulfinic acid S-allyl ester

No.	Title	Href
1	Allicin sensitizes hepatocellular cancer cells to anti-tumor activity of 5-fluorouracil through ROS-mediated mitochondrial pathway. J Pharmacol Sci. 2016 Aug;131(4):233-40. doi: 10.1016/j.jphs.2016.04.017.	`Click`
2	Allicin Reduces 5-fluorouracil-resistance in Gastric Cancer Cells through Modulating MDR1, DKK1, and WNT5A Expression. Drug Res (Stuttg). 2021 Oct;71(8):448-454. doi: 10.1055/a-1525-1499.	`Click`

No.

Title

Href

Allicin sensitizes hepatocellular cancer cells to anti-tumor activity of 5-fluorouracil through ROS-mediated mitochondrial pathway. J Pharmacol Sci. 2016 Aug;131(4):233-40. doi: 10.1016/j.jphs.2016.04.017.

Click

Allicin Reduces 5-fluorouracil-resistance in Gastric Cancer Cells through Modulating MDR1, DKK1, and WNT5A Expression. Drug Res (Stuttg). 2021 Oct;71(8):448-454. doi: 10.1055/a-1525-1499.

Click

Name	Allicin
PubChem CID	65036
Molecular Weight	162.3g/mol
Synonyms	allicin, allimin, allylthiosulfinate, allylthiosulphinic acid allyl ester, diallyl disulfide-oxide, thio-2-propene-1-sulfinic acid S-allyl ester
Formula	C₆H₁₀OS₂
SMILES	C=CCSS(=O)CC=C
InChI	1S/C6H10OS2/c1-3-5-8-9(7)6-4-2/h3-4H,1-2,5-6H2
InChIKey	JDLKFOPOAOFWQN-UHFFFAOYSA-N
CAS Number	539-86-6
ChEMBL ID	CHEMBL359965
ChEBI ID	CHEBI:28411
Herb ID	HBIN015200
Drug Bank ID	DB11780
KEGG ID	C07600
Toxicity	Organism	Test Type	Route(Dose)
	rat	LD50	intraperitoneal(165 mg/kg)
	mouse	LD50	intraperitoneal(254 mg/kg)
	rat	LD50	oral(322 mg/kg)
Structure			Download 2D MOL 3D MOL

Chineses Pinyin	DaSuan
Use Part	Bulb
Habitat	China
Flavor	Pungent
Meridian Tropism	Spleen, Stomach, Lung
Species	>Kingdom: Viridiplantae 　-->Phylum: Streptophyta 　　-->Class: Equisetopsida 　　　-->Order: Asparagales 　　　　-->Family: Amaryllidaceae 　　　　　-->Genus: Allium 　　　　　　-->Species: Allium sativum

Chineses Pinyin	CongBai
Use Part	Resh Bulb
Habitat	China
Flavor	Pungent
Meridian Tropism	Lung, Stomach

Pair Name	Allicin, Fluorouracil
Partner Name	Fluorouracil
Disease Info	[ICD-11: 2C12]	Hepatocellular carcinoma		Investigative
Biological Phenomena	Induction-->ROS-mediated mitochondrial pathway
Gene Regulation	Up-regulation	Expression	ROS1	hsa6098
	Up-regulation	Cleavage	CASP3	hsa836
	Up-regulation	Cleavage	PARP1	hsa142
	Down-regulation	Expression	BCL2	hsa596
In Vitro Model	SK-HEP-1	Liver and intrahepatic bile duct epithelial neoplasm	Homo sapiens (Human)	CVCL_0525
In Vitro Model	BEL-7402	Human papillomavirus-related cervical adenocarcinoma	Homo sapiens (Human)	CVCL_5492
In Vivo Model	Male athymic nude mice (4-6-week) were injected subcutaneously into left flank with 1×10⁷ GFP-SK-Hep-1 cells.
Result	Allicin sensitizes hepatocellular cancer cells to anti-tumor activity of 5-fluorouracil through ROS-mediated mitochondrial pathway

Pair Name	Allicin, Fluorouracil
Partner Name	Fluorouracil
Disease Info	[ICD-11: 2B72.Z]	Gastric cancer		Investigative
Biological Phenomena	Induction-->Apoptosis
Gene Regulation	Down-regulation	Expression	ABCB1	hsa5243
	Down-regulation	Expression	CD44	hsa960
	Down-regulation	Expression	WNT5A	hsa7474
	Down-regulation	Expression	DKK1	hsa22943
	Down-regulation	Expression	ABCB1	hsa5243
In Vitro Model	MKN45	Gastric adenocarcinoma	Homo sapiens (Human)	CVCL_0434
Result	Our findings indicate that the combination of allicin with 5-FU could reverse multidrug resistance in the GC cells by reducing the expression of WNT5A, DKK1, MDR1, P-gp, and CD44 levels.