NPACT- Naturally occuring Plant based Anticancerous Compound-Activity-Target DataBase
CompoundAglafolin
NPACT-IdNPACT00224
IUPAC-
SynonymsAglafoline ;Methyl rocaglate ;AGLAFOLIN
PubChem Id393601
ClassLignans
In-vitro anticancer activtiy 16 cancer cell lines
In-Vivo anticancer activtiy No
TargetsNo targets found
Properties Physical   Elemental  Topological
InChi KeyVFTGDXPPYSWBSO-GWNOIRNCSA-N
InChi1S/C28H28O8/c1-32-18-12-10-17(11-13-18)28-23(16-8-6-5-7-9-16)22(26(30)35-4)25(29)27(28,31)24-20(34-3)14-19(33-2)15-21(24)36-28/h5-15,22-23,25,29,31H,1-4H3/t22-,23-,25-,27+,28+/m1/s1
SMILESO1[C@@]2([C@@](O)([C@H](O)[C@@H]([C@H]2c2ccccc2)C(=O)OC)c2c1cc(OC)cc2OC)c1ccc(OC)cc1
SMART[H]O[C@]1([H])[C@]([H])(C(=O)OC([H])([H])[H])[C@@]([H])(C2=C([H])C([H])=C([H])C([H])=C2[H])[C@@]2(OC3=C(C(OC([H])([H])[H])=C([H])C(OC([H])([H])[H])=C3[H])[C@]12O[H])C1=C([H])C([H])=C(OC([H])([H])[H])C([H])=C1[H]
CAS No.143901-35-3
Structure
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Cross Refrence in other databases
Super Natural   -
CTD   C077355
HIT   -
NCI-60 GI50 data   -
Suppliers AAA Chemistry, ABI Chem, 
Drug-Likeliness Filters Lipinski's rule of five   Yes
Ghose filter   No
Veber filter   Yes
Muegge Filter   Yes
Similarity SearchHuman metabolite databaseFDA approved drugs

 






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