NPACT- Naturally occuring Plant based Anticancerous Compound-Activity-Target DataBase
CompoundHarmine
NPACT-IdNPACT00643
IUPAC7-methoxy-1-methyl-9H-pyrido[3,4-b]indole
SynonymsBanisterine;Leucoharmine;Telepathine;Yageine;Yajeine;6-Methoxyharman;7-Methoxy-1-methyl-9H-beta-carboline;7-Methoxy-1-methyl-9H-pyrido[3,4-b]indole
PubChem Id5280953
ClassAlkaloids
In-vitro anticancer activity 1 cancer cell lines
In-Vivo anticancer activity No
TargetsIL6 | NOS2 | TNF |   All | 
Properties Physical   Elemental  Topological
InChi KeyBXNJHAXVSOCGBA-UHFFFAOYSA-N
InChi1S/C13H12N2O/c1-8-13-11(5-6-14-8)10-4-3-9(16-2)7-12(10)15-13/h3-7,15H,1-2H3
SMILESO(c1cc2[nH]c3c(c2cc1)ccnc3C)C
SMART[H]N1C2=C(C([H])=C([H])C(OC([H])([H])[H])=C2[H])C2=C1C(=NC([H])=C2[H])C([H])([H])[H]
CAS No.442-51-3
Structure
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Cross Refrence in other databases
Super Natural   000442513
CTD   D006247
HIT   -
NCI-60 GI50 data   -
Suppliers ABI Chem, AKos Consulting & Solutions, Amadis Chemical, Ambinter, Angene International, ASINEX, Biosynth, ChemExper Chemical Directory, ChemFrog, ChemMol, Hangzhou Trylead Chemical Technology, IS Chemical Technology, MolPort, MP Biomedicals, R&D Chemicals, Sigma-Aldrich, TCI (Tokyo Chemical Industry), TimTec, Vitas-M Laboratory, 
Drug-Likeliness Filters Lipinski's rule of five   Yes
Ghose filter   Yes
Veber filter   Yes
Muegge Filter   Yes
Similarity SearchHuman metabolite databaseFDA approved drugs

 






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