NPACT- Naturally occuring Plant based Anticancerous Compound-Activity-Target DataBase
CompoundEpoxymollugin
NPACT-IdNPACT00551
IUPAC-
Synonyms-
PubChem Id-
ClassPolycyclic aromatic natural products
In-vitro anticancer activity 3 cancer cell lines
In-Vivo anticancer activity No
TargetsNo targets found
Properties Physical   Elemental  Topological
InChi KeyLPJABIWTUZMHHA-GJZGRUSLSA-N
InChi1S/C17H16O5/c1-17(2)15-14(21-15)11-10(16(19)20-3)12(18)8-6-4-5-7-9(8)13(11)22-17/h4-7,14-15,18H,1-3H3/t14-,15-/m0/s1
SMILESc1cccc2c1c(c(c1c2OC([C@@H]2[C@H]1O2)(C)C)C(=O)OC)O
SMART[#6]OC(=O)C1=C(O)C2=CC=CC=C2C2=C1[C@@H]1O[C@@H]1[C@]([#6])([#6])O2
CAS No.-
Structure
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Cross Refrence in other databases
Super Natural   -
CTD   C527316
HIT   -
NCI-60 GI50 data   -
Suppliers NA, 
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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