NPACT- Naturally occuring Plant based Anticancerous Compound-Activity-Target DataBase
CompoundMollugin
NPACT-IdNPACT00775
IUPACmethyl 6-hydroxy-2,2-dimethylbenzo[h]chromene-5-carboxylate
SynonymsRubimaillin;Methyl 6-hydroxy-2,2-dimethyl-2H-benzo[h]chromene-5-carboxylate;2H-Naphtho(1,2-b)pyran-5-carboxylic acid, 6-hydroxy-2,2-dimethyl-, methyl ester
PubChem Id124219
ClassPolycyclic aromatic natural products
In-vitro anticancer activtiy 3 cancer cell lines
In-Vivo anticancer activtiy No
TargetsNo targets found
Properties Physical   Elemental  Topological
InChi KeyVLGATXOTCNBWIT-UHFFFAOYSA-N
InChi1S/C17H16O4/c1-17(2)9-8-12-13(16(19)20-3)14(18)10-6-4-5-7-11(10)15(12)21-17/h4-9,18H,1-3H3
SMILESO1C(C=Cc2c1c1c(c(O)c2C(=O)OC)cccc1)(C)C
SMART[H]OC1=C(C(=O)OC([H])([H])[H])C2=C(O[C@](C([H])=C2[H])(C([H])([H])[H])C([H])([H])[H])C2=C([H])C([H])=C([H])C([H])=C12
CAS No.55481-88-4
Structure
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Cross Refrence in other databases
Super Natural   -
CTD   C046245
HIT   -
NCI-60 GI50 data   -
Suppliers AAA Chemistry, ABI Chem, ChemFrog, ChemMol, IS Chemical Technology, ZINC, 
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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