NPACT- Naturally occuring Plant based Anticancerous Compound-Activity-Target DataBase
CompoundIndicanine D
NPACT-IdNPACT01457
IUPAC-
Synonyms-
PubChem Id-
ClassFlavonoid
In-vitro anticancer activity 1 cancer cell lines
In-Vivo anticancer activity No
TargetsNo targets found
Properties Physical   Elemental  Topological
InChi KeyIGCLPTLSLVGHRE-UHFFFAOYSA-N
InChi1S/C50H76O6/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-44(36-51)56-43-32-30-40(31-33-43)45-37-55-50-42(35-46(52)39(4)5)34-41(29-28-38(2)3)48(53)47(50)49(45)54/h28,30-34,37,44,46,51-53H,4,6-27,29,35-36H2,1-3,5H3
SMILESc1(cc(c(c2c1occ(c2=O)c1ccc(cc1)OC(CO)CCCCCCCCCCCCCCCCCCCCCCC)O)CC=C(C)C)CC(C(=C)C)O
SMART[H]OC1=C(CC=C([#6])[#6])C=C(CC(O)C([#6])=C)C2=C1C(=O)C(=CO2)C1=CC=C(OC(CCCCCCCCCCCCCCCCCCCCCC[#6])C([H])([H])O)C=C1
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   No
Ghose filter   No
Veber filter   No
Muegge Filter   No
Similarity SearchHuman metabolite databaseFDA approved drugs

 






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