Compound	N-n-octanoylnornicotine
NPACT-Id	NPACT00816
IUPAC	1-[(2S)-2-pyridin-3-ylpyrrolidin-1-yl]octan-1-one
Synonyms	N-Octanoylnornicotine; N-8nornic
PubChem Id	162334
Class	Alkaloids
In-vitro anticancer activity	2 cancer cell lines
In-Vivo anticancer activity	No
Targets	CYP19A1 \| All \|
Properties	Physical Elemental Topological
InChi Key	KEQBTQJDZSZAMQ-INIZCTEOSA-N
InChi	1S/C17H26N2O/c1-2-3-4-5-6-11-17(20)19-13-8-10-16(19)15-9-7-12-18-14-15/h7,9,12,14,16H,2-6,8,10-11,13H2,1H3/t16-/m0/s1
SMILES	O=C(N1[C@@H](CCC1)c1cccnc1)CCCCCCC
SMART	[H]C1=NC([H])=C(C([H])=C1[H])[C@@]1([H])N(C(=O)C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H])C([H])([H])C([H])([H])C1([H])[H]
CAS No.	38854-10-3
Structure Download
Cross Refrence in other databases
	Super Natural	-
	CTD	C074420
	HIT	-
	NCI-60 GI₅₀ data	-
Suppliers	AAA Chemistry, ABI Chem,
Drug-Likeliness Filters	Lipinski's rule of five	Yes
	Ghose filter	Yes
	Veber filter	Yes
	Muegge Filter	Yes
Similarity Search	Human metabolite database	FDA approved drugs

NPACT

Naturally occuring Plant based Anticancerous Compound-Activity-Target DataBase