NPACT- Naturally occuring Plant based Anticancerous Compound-Activity-Target DataBase
a
Compound4,4'-O-dimethylellagic acid 3-(2'',3''-di-O-acetyl)-alpha-L-rhamnoside
NPACT-IdNPACT00149
IUPAC-
Synonyms-
PubChem Id11071799
ClassBenzopyranoids
In-vitro anticancer activity 4 cancer cell lines
In-Vivo anticancer activity No
TargetsNo targets found
Properties Physical   Elemental  Topological
InChi KeyGQJAWLOFGSZVBK-JSQOIUDGSA-N
InChi1S/C26H24O14/c1-8-17(29)22(36-9(2)27)23(37-10(3)28)26(35-8)40-19-14(34-5)7-12-16-15-11(25(32)39-21(16)19)6-13(33-4)18(30)20(15)38-24(12)31/h6-8,17,22-23,26,29-30H,1-5H3/t8-,17-,22+,23+,26-/m0/s1
SMILESO1[C@H]([C@H](O)[C@@H](OC(=O)C)[C@@H](OC(=O)C)[C@@H]1Oc1c2oc(=O)c3c4c2c(cc1OC)c(=O)oc4c(O)c(OC)c3)C
SMART[H]OC1=C(OC([H])([H])[H])C([H])=C2C(=O)OC3=C4C(=C([H])C(OC([H])([H])[H])=C3O[C@]3([H])O[C@@]([H])(C([H])([H])[H])[C@]([H])(O[H])[C@@]([H])(OC(=O)C([H])([H])[H])[C@@]3([H])OC(=O)C([H])([H])[H])C(=O)OC1=C24
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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