Compound	Harmaline
NPACT-Id	NPACT00640
IUPAC	7-methoxy-1-methyl-3,4-dihydro-2H-pyrido[3,4-b]indole
Synonyms	Dihydroharmine;Harmidine;Armalin;3,4-Dihydroharmine;Harmalol methyl ether;O-Methylharmalol;Harmine, dihydro
PubChem Id	5280951
Class	Alkaloids
In-vitro anticancer activity	1 cancer cell lines
In-Vivo anticancer activity	No
Targets	NOS2 \| TNF \| All \|
Properties	Physical Elemental Topological
InChi Key	QJOZJXNKVMFAET-UHFFFAOYSA-N
InChi	1S/C13H14N2O/c1-8-13-11(5-6-14-8)10-4-3-9(16-2)7-12(10)15-13/h3-4,7,14H,5-6H2,1-2H3
SMILES	O(c1cc2=NC3=C(NCCC3=c2cc1)C)C
SMART	[H]N1C(=C2N=C3C([H])=C(OC([H])([H])[H])C([H])=C([H])C3=C2C([H])([H])C1([H])[H])C([H])([H])[H]
CAS No.	304-21-2
Structure Download
Cross Refrence in other databases
	Super Natural	000304212
	CTD	D006246
	HIT	-
	NCI-60 GI₅₀ data	-
Suppliers	ABI Chem, Amadis Chemical, Ambinter, Angene International, Biosynth, ChemFrog, Chemical Synthesis Database, ChemMol, Hangzhou Trylead Chemical Technology, IS Chemical Technology, Jamson Pharmachem Technology, MolPort, MP Biomedicals, R&D Chemicals, Sigma-Aldrich, TCI (Tokyo Chemical Industry), TimTec, ZINC,
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