NPACT- Naturally occuring Plant based Anticancerous Compound-Activity-Target DataBase
CompoundInophyllum E
NPACT-IdNPACT01235
IUPAC-
Synonyms-
PubChem Id455251
ClassFlavonoid
In-vitro anticancer activity 1 cancer cell lines
In-Vivo anticancer activity No
TargetsNo targets found
Properties Physical   Elemental  Topological
InChi KeyYRHQANFINIANSK-UONOGXRCSA-N
InChi1S/C25H22O5/c1-13-14(2)28-22-16-10-11-25(3,4)30-23(16)19-17(15-8-6-5-7-9-15)12-18(26)29-24(19)20(22)21(13)27/h5-14H,1-4H3/t13-,14+/m0/s1
SMILESO1[C@@H]([C@@H](C(=O)c2c1c1c(OC(C=C1)(C)C)c1c2oc(=O)cc1c1ccccc1)C)C
SMART[H]C1=C([H])C([H])=C(C([H])=C1[H])C1=C([H])C(=O)OC2=C1C1=C(C([H])=C([H])[C@@](O1)(C([H])([H])[H])C([H])([H])[H])C1=C2C(=O)[C@@]([H])(C([H])([H])[H])[C@]([H])(O1)C([H])([H])[H]
CAS No.-
Structure
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Cross Refrence in other databases
Super Natural   -
CTD   -
HIT   -
NCI-60 GI50 data   -
Suppliers ABI Chem, 
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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