Compound	Evodiamine
NPACT-Id	NPACT01204
IUPAC	-
Synonyms	Isoevodiamine;Indol(2',3':3,4)pyrido(2,1-b)quinazolin-5(7H)-one, 8,13,13b,14-tetrahydro-14-methyl-, (13bS)-;Indol(2',3':3,4)pyrido(2,1-b)quinazolin-5(7H)-one, 8,13,13b,14-tetrahydro-14-methyl-, (S)-;
PubChem Id	151289
Class	Alkaloids
In-vitro anticancer activity	2 cancer cell lines
In-Vivo anticancer activity	Yes
Targets	BCL2 \| CASP7 \| CASP9 \| CDC25C \| RAF1 \| All \|
Properties	Physical Elemental Topological
InChi Key	TXDUTHBFYKGSAH-UHFFFAOYSA-N
InChi	1S/C19H17N3O/c1-21-16-9-5-3-7-14(16)19(23)22-11-10-13-12-6-2-4-8-15(12)20-17(13)18(21)22/h2-9,18,20H,10-11H2,1H3
SMILES	O=C1N2C(N(c3c1cccc3)C)c1[nH]c3c(c1CC2)cccc3
SMART	[H]N1C2=C([H])C([H])=C([H])C([H])=C2C2=C1[C@@]1([H])N(C3=C([H])C([H])=C([H])C([H])=C3C(=O)N1C([H])([H])C2([H])[H])C([H])([H])[H]
CAS No.	518-17-2
Structure Download
Cross Refrence in other databases
	Super Natural	-
	CTD	C049639
	HIT	C0362
	NCI-60 GI₅₀ data	-
Suppliers	ABI Chem, Ambinter, ChemFrog, ChemMol, Hangzhou APIChem Technology, IS Chemical Technology, MolPort, Selleck Chemicals,
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