NPACT- Naturally occuring Plant based Anticancerous Compound-Activity-Target DataBase
CompoundMeso-monomethyl dihydroguaiaretic acid
NPACT-IdNPACT00771
IUPAC-
Synonyms-
PubChem Id-
ClassLignans
In-vitro anticancer activtiy 2 cancer cell lines
In-Vivo anticancer activtiy No
TargetsTOP1MT | TOP2A |   All | 
Properties Physical   Elemental  Topological
InChi KeyNNYAKQAKXHZMKI-GJZGRUSLSA-N
InChi1S/C21H28O4/c1-14(10-16-6-8-18(22)20(12-16)24-4)15(2)11-17-7-9-19(23-3)21(13-17)25-5/h6-9,12-15,22H,10-11H2,1-5H3/t14-,15-/m0/s1
SMILESc1c(c(ccc1C[C@@H]([C@H](Cc1ccc(c(c1)OC)OC)C)C)O)OC
SMART[#6]OC1=CC=C(C[C@H]([#6])[C@@H]([#6])CC2=CC=C(O)C(O[#6])=C2)C=C1O[#6]
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   Yes
Veber filter   Yes
Muegge Filter   No
Similarity SearchHuman metabolite databaseFDA approved drugs

 






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