NPACT- Naturally occuring Plant based Anticancerous Compound-Activity-Target DataBase
CompoundIsotylocrebrine
NPACT-IdNPACT01492
IUPAC-
Synonyms-
PubChem Id-
ClassAlkaloids
In-vitro anticancer activity 3 cancer cell lines
In-Vivo anticancer activity No
TargetsNo targets found
Properties Physical   Elemental  Topological
InChi KeyZRGRTHUWZSWRSQ-AWEZNQCLSA-N
InChi1S/C24H27NO4/c1-26-20-8-7-15-16-10-14-6-5-9-25(14)13-19(16)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-/m0/s1
SMILESc1c(c(c2c(c1)c1c(c3c2cc(c(c3)OC)OC)CN2[C@H](C1)CCC2)OC)OC
SMART[H][C@@]12CCCN1CC1=C(C2)C2=C(C(O[#6])=C(O[#6])C=C2)C2=C1C=C(O[#6])C(O[#6])=C2
CAS No.-
Structure
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Cross Refrence in other databases
Super Natural   -
CTD   -
HIT   -
NCI-60 GI50 data   -
Suppliers NA, 
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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