Compound	Berberine
NPACT-Id	NPACT00319
IUPAC	(2R,3S,4S,4aR,10bS)-3,4,8,10-tetrahydroxy-2-(hydroxymethyl)-9-methoxy-3,4,4a,10b-tetrahydro-2H-pyrano[3,2-c]isochromen-6-one
Synonyms	berberine ;Berberin;Umbellatine ;Berberal;9,10-Dimethoxy-2,3-(methylenedioxy)-7,8,13,13a-tetrahydroberbinium;Benzo(g)-1,3-benzodioxolo(5,6-a)quinolizinium, 5,6-dihydro-9,10-dimethoxy-;
PubChem Id	2353
Class	Alkaloids
In-vitro anticancer activity	5 cancer cell lines
In-Vivo anticancer activity	No
Targets	BCL2 \| BCL2L1 \| BID \| BIRC2 \| CASP3 \| CASP9 \| CYCS \| FASLG \| MAPK1 \| MAPK8 \| PARP1 \| All \|
Properties	Physical Elemental Topological
InChi Key	YBHILYKTIRIUTE-UHFFFAOYSA-N
InChi	1S/C20H18NO4/c1-22-17-4-3-12-7-16-14-9-19-18(24-11-25-19)8-13(14)5-6-21(16)10-15(12)20(17)23-2/h3-4,7-10H,5-6,11H2,1-2H3/q+1
SMILES	O1c2cc3CC[n+]4c(c3cc2OC1)cc1c(c4)c(OC)c(OC)cc1
SMART	[H]C1=C([H])C2=C([H])C3=[N+](C([H])=C2C(OC([H])([H])[H])=C1OC([H])([H])[H])C([H])([H])C([H])([H])C1=C([H])C2=C(OC([H])([H])O2)C([H])=C31
CAS No.	2086-83-1
Structure Download
Cross Refrence in other databases
	Super Natural	002086831
	CTD	D001599
	HIT	C0391
	NCI-60 GI₅₀ data	-
Suppliers	ABI Chem, AKos Consulting & Solutions, Ambinter, ChemFrog, ChemMol, Hangzhou APIChem Technology, MolPort, MP Biomedicals, TimTec, Vitas-M Laboratory, ZINC,
Drug-Likeliness Filters	Lipinski's rule of five	Yes
	Ghose filter	No
	Veber filter	Yes
	Muegge Filter	Yes
Similarity Search	Human metabolite database	FDA approved drugs

NPACT

Naturally occuring Plant based Anticancerous Compound-Activity-Target DataBase