a a

Compound	Psychotrine
NPACT-Id	NPACT01302
IUPAC	-
Synonyms	1',15-Didehydro-7',10,11-trimethoxyemetan-6'-ol;1',2'-Didehydro-7',10,11-trimethoxyemetan-6'-ol;Emetan-6'-ol, 1',2'-didehydro-7',10,11-trimethoxy-;1-[[(2R,3R,11bS)-3-ethyl-9,10-dimethoxy-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizin-2-yl]methyl]-7-methoxy-3,4-dihydro-2H-isoquinolin-6-one;7633-29-6
PubChem Id	15560508
Class	Alkaloids
In-vitro anticancer activtiy	8 cancer cell lines
In-Vivo anticancer activtiy	No
Targets	No targets found
Properties	Physical Elemental Topological
InChi Key	FBRKYRSUSJWLHH-UHFFFAOYSA-N
InChi	1S/C29H38N2O4/c1-6-18-17-31-10-8-20-14-27(33-3)29(35-5)16-23(20)25(31)12-21(18)11-24-22-15-28(34-4)26(32-2)13-19(22)7-9-30-24/h13-16,18,21,25H,6-12,17H2,1-5H3
SMILES	O(c1cc2C3N(CC(C(C3)CC3=NCCc4c3cc(OC)c(OC)c4)CC)CCc2cc1OC)C
SMART	[#6]CC1CN2CCC3=CC(O[#6])=C(O[#6])C=C3C2CC1CC1=NCCC2=CC(O[#6])=C(O[#6])C=C12
CAS No.	7633-29-6
Structure Download
Cross Refrence in other databases
	Super Natural	-
	CTD	C116895
	HIT	-
	NCI-60 GI₅₀ data	-
Suppliers	NA,
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