NPACT- Naturally occuring Plant based Anticancerous Compound-Activity-Target DataBase
a a
Compounddimethylmatairesinol
NPACT-IdNPACT01191
IUPAC-
Synonyms3,4-Bis(3,4-dimethoxybenzyl)dihydro-2(3H)-furanone;Methylarctigenin;3,4-bis[(3,4-dimethoxyphenyl)methyl]oxolan-2-one;4-Hydroxy-2,3-diveratrylbutyric acid gamma-lactone;Butyric acid, 4-hydroxy-2,3-diveratryl-, gamma-lactone;
PubChem Id1286
ClassLignans
In-vitro anticancer activtiy 3 cancer cell lines
In-Vivo anticancer activtiy No
TargetsNo targets found
Properties Physical   Elemental  Topological
InChi KeySNAOLIMFHAAIER-UHFFFAOYSA-N
InChi1S/C22H26O6/c1-24-18-7-5-14(11-20(18)26-3)9-16-13-28-22(23)17(16)10-15-6-8-19(25-2)21(12-15)27-4/h5-8,11-12,16-17H,9-10,13H2,1-4H3
SMILESO1CC(C(Cc2cc(OC)c(OC)cc2)C1=O)Cc1cc(OC)c(OC)cc1
SMART[H]C1=C([H])C(=C([H])C(OC([H])([H])[H])=C1OC([H])([H])[H])C([H])([H])[C@]1([H])C(=O)OC([H])([H])[C@@]1([H])C([H])([H])C1=C([H])C(OC([H])([H])[H])=C(OC([H])([H])[H])C([H])=C1[H]
CAS No.26846
Structure
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Cross Refrence in other databases
Super Natural   -
CTD   C508933
HIT   -
NCI-60 GI50 data   -
Suppliers AAA Chemistry, ABI Chem, ChemFrog, 
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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