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5-geranoxypsoralen, 8-geranyloxypsoralen, bergamottin

No.	Title	Href
1	Simvastatin in combination with bergamottin potentiates TNF-induced apoptosis through modulation of NF-κB signalling pathway in human chronic myelogenous leukaemia. Pharm Biol. 2016 Oct;54(10):2050-60. doi: 10.3109/13880209.2016.1141221.	`Click`

No.

Title

Href

Simvastatin in combination with bergamottin potentiates TNF-induced apoptosis through modulation of NF-κB signalling pathway in human chronic myelogenous leukaemia. Pharm Biol. 2016 Oct;54(10):2050-60. doi: 10.3109/13880209.2016.1141221.

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Name	Bergamottin
PubChem CID	5471349
Molecular Weight	338.4g/mol
Synonyms	5-geranoxypsoralen, 8-geranyloxypsoralen, bergamottin
Formula	C₂₁H₂₂O₄
SMILES	CC(=CCCC(=CCOC1=C2C=CC(=O)OC2=CC3=C1C=CO3)C)C
InChI	1S/C21H22O4/c1-14(2)5-4-6-15(3)9-11-24-21-16-7-8-20(22)25-19(16)13-18-17(21)10-12-23-18/h5,7-10,12-13H,4,6,11H2,1-3H3/b15-9+
InChIKey	DBMJZOMNXBSRED-OQLLNIDSSA-N
CAS Number	7380-40-7
ChEMBL ID	CHEMBL1078442
ChEBI ID	CHEBI:70476
Herb ID	HBIN017910
KEGG ID	C22152
Structure		Download 2D MOL 3D MOL

Chineses Pinyin	NingMeng
Use Part	Fruit
Habitat	China
Species	>Kingdom: Viridiplantae 　-->Phylum: Streptophyta 　　-->Class: Equisetopsida 　　　-->Order: Sapindales 　　　　-->Family: Rutaceae 　　　　　-->Genus: Citrus 　　　　　　-->Species: Citrus limon

Pair Name	Bergamottin, Simvastatin
Partner Name	Simvastatin
Disease Info	[ICD-11: 2A20.1]	Chronic myelogenous leukemia		Investigative
Biological Phenomena	Induction-->Apoptosis
Gene Regulation	Down-regulation	Expression	BCL2	hsa596
	Down-regulation	Expression	BCL-xL	hsa598
	Down-regulation	Expression	BIRC2	hsa329
	Down-regulation	Expression	BIRC5	hsa332
	Down-regulation	Expression	CCND1	hsa595
	Up-regulation	Expression	CDKN1A	hsa1026
	Down-regulation	Expression	MMP9	hsa4318
	Down-regulation	Expression	NFKB1	hsa4790
	Up-regulation	Expression	NFKBIA	hsa4792
	Up-regulation	Expression	PSMD9	hsa5715
	Up-regulation	Expression	RELA	hsa5970
	Down-regulation	Expression	VEGFA	hsa7422
In Vitro Model	KBM-5	Chronic myelogenous leukemia	Homo sapiens (Human)	CVCL_0373
In Vitro Model	AIP WT MEF	Healthy	Mus musculus (Mouse)	CVCL_UJ03
Result	Discussion and conclusion Our results provide novel insight into the role of SV and BGM in potentially preventing and treating cancer through modulation of NF-κB signalling pathway and its regulated gene products.