a a

Compound	Secoantofine
NPACT-Id	NPACT01317
IUPAC	-
Synonyms	(-)-13aalpha-Secoantofine;(8aR)-7-(3,4-dimethoxyphenyl)-6-(4-methoxyphenyl)-1,2,3,5,8,8a-hexahydroindolizine;(R)-6-(4-methoxyphenyl)-7-(3,4-dimethoxyphenyl)-1,2,3,5,8,8a-hexahydroindolizine;7-(3,4-Dimethoxy-phenyl)-6-(4-methoxy-phenyl)-1,2,3,5,8,8a-hexahydro-indolizine;
PubChem Id	637044
Class	Alkaloids
In-vitro anticancer activtiy	3 cancer cell lines
In-Vivo anticancer activtiy	No
Targets	No targets found
Properties	Physical Elemental Topological
InChi Key	WOAHFBLGXWXVSL-GOSISDBHSA-N
InChi	1S/C23H27NO3/c1-25-19-9-6-16(7-10-19)21-15-24-12-4-5-18(24)14-20(21)17-8-11-22(26-2)23(13-17)27-3/h6-11,13,18H,4-5,12,14-15H2,1-3H3/t18-/m1/s1
SMILES	O(c1cc(C2=C(CN3[C@H](CCC3)C2)c2ccc(OC)cc2)ccc1OC)C
SMART	[H]C1=C([H])C(=C([H])C([H])=C1OC([H])([H])[H])C1=C(C2=C([H])C(OC([H])([H])[H])=C(OC([H])([H])[H])C([H])=C2[H])C([H])([H])[C@]2([H])[N@@](C([H])([H])C([H])([H])C2([H])[H])C1([H])[H]
CAS No.	126262-27-9
Structure Download
Cross Refrence in other databases
	Super Natural	-
	CTD	-
	HIT	-
	NCI-60 GI₅₀ data	-
Suppliers	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