NPACT- Naturally occuring Plant based Anticancerous Compound-Activity-Target DataBase
CompoundMeso-dihydroguaiaretic acid
NPACT-IdNPACT00770
IUPAC4-[(2S,3R)-4-(4-hydroxy-3-methoxyphenyl)-2,3-dimethylbutyl]-2-methoxyphenol
Synonymsmeso-dihydroguaiaretic acid
PubChem Id476856
ClassLignans
In-vitro anticancer activtiy 4 cancer cell lines
In-Vivo anticancer activtiy No
TargetsPLCG1 |   All | 
Properties Physical   Elemental  Topological
InChi KeyADFOLUXMYYCTRR-OKILXGFUSA-N
InChi1S/C20H26O4/c1-13(9-15-5-7-17(21)19(11-15)23-3)14(2)10-16-6-8-18(22)20(12-16)24-4/h5-8,11-14,21-22H,9-10H2,1-4H3/t13-,14+
SMILESO(c1cc(C[C@@H]([C@@H](Cc2cc(OC)c(O)cc2)C)C)ccc1O)C
SMART[#6]OC1=C(O)C=CC(C[C@H]([#6])[C@H]([#6])CC2=CC(O[#6])=C(O)C=C2)=C1
CAS No.-
Structure
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Cross Refrence in other databases
Super Natural   -
CTD   C015816
HIT   -
NCI-60 GI50 data   -
Suppliers AAA Chemistry, ABI Chem, ZINC, 
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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