NPACT- Naturally occuring Plant based Anticancerous Compound-Activity-Target DataBase
a
Compoundtylocrebrine
NPACT-IdNPACT01358
IUPAC-
SynonymsLylocrebrine;Tylocerebrine;(13ar)-2,3,5,6-tetramethoxy-9,11,12,13,13a,14-hexahydrodibenzo[f,h]pyrrolo[1,2-b]isoquinoline
PubChem Id246845
ClassAlkaloids
In-vitro anticancer activity 1 cancer cell lines
In-Vivo anticancer activity No
TargetsNo targets found
Properties Physical   Elemental  Topological
InChi KeyYFEPHJVWLFGWKH-CQSZACIVSA-N
InChi1S/C24H27NO4/c1-26-20-8-7-15-19-13-25-9-5-6-14(25)10-16(19)17-11-21(27-2)22(28-3)12-18(17)23(15)24(20)29-4/h7-8,11-12,14H,5-6,9-10,13H2,1-4H3/t14-/m1/s1
SMILESO(c1c2c(c3CN4[C@H](CCC4)Cc3c3c2cc(OC)c(OC)c3)ccc1OC)C
SMART[H]C1=C([H])C2=C(C(OC([H])([H])[H])=C1OC([H])([H])[H])C1=C([H])C(OC([H])([H])[H])=C(OC([H])([H])[H])C([H])=C1C1=C2C([H])([H])[N@@]2C([H])([H])C([H])([H])C([H])([H])[C@]2([H])C1([H])[H]
CAS No.105748-58-1
Structure
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Cross Refrence in other databases
Super Natural   -
CTD   C100148
HIT   -
NCI-60 GI50 data   -
Suppliers AAA Chemistry, ABI Chem, Kingston Chemistry, 
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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