Compound	Berbamine
NPACT-Id	NPACT00318
IUPAC	-
Synonyms	BERBAMINE ;6,6',7-Trimethoxy-2,2'-dimethylberbaman-12-ol ;(+)-Berbamine ;Berbenine ;d-Berbamine
PubChem Id	10170
Class	Alkaloids
In-vitro anticancer activity	3 cancer cell lines
In-Vivo anticancer activity	No
Targets	birc5a \| CHUK \| NFKB1 \| NFKBIA \| All \|
Properties	Physical Elemental Topological
InChi Key	DFOCUWZXJBAUSQ-UHFFFAOYSA-N
InChi	1S/C37H40N2O6/c1-38-14-12-24-19-32(41-3)33-21-27(24)28(38)16-22-6-9-26(10-7-22)44-31-18-23(8-11-30(31)40)17-29-35-25(13-15-39(29)2)20-34(42-4)36(43-5)37(35)45-33/h6-11,18-21,28-29,40H,12-17H2,1-5H3
SMILES	O1c2c3[C@@H](N(CCc3cc(OC)c2OC)C)Cc2cc(Oc3ccc(C[C@@H]4N(CCc5c4cc1c(OC)c5)C)cc3)c(O)cc2
SMART	[H]OC1=C2OC3=C([H])C([H])=C(C([H])=C3[H])C([H])([H])[C@]3([H])[N@@](C([H])([H])[H])C([H])([H])C([H])([H])C4=C([H])C(OC([H])([H])[H])=C(OC5=C6C(=C([H])C(OC([H])([H])[H])=C5OC([H])([H])[H])C([H])([H])C([H])([H])[N@](C([H])([H])[H])[C@@]6([H])C([H])([H])C(C([H])=C1[H])=C2[H])C([H])=C34
CAS No.	478-61-5
Structure Download
Cross Refrence in other databases
	Super Natural	000478615
	CTD	C027870
	HIT	-
	NCI-60 GI₅₀ data	-
Suppliers	AAA Chemistry, ABI Chem, AKos Consulting & Solutions, ChemFrog, ChemMol, Hangzhou APIChem Technology, Vitas-M Laboratory,
Drug-Likeliness Filters	Lipinski's rule of five	No
	Ghose filter	No
	Veber filter	Yes
	Muegge Filter	No
Similarity Search	Human metabolite database	FDA approved drugs

NPACT

Naturally occuring Plant based Anticancerous Compound-Activity-Target DataBase