NPACT- Naturally occuring Plant based Anticancerous Compound-Activity-Target DataBase
Compoundridentin
NPACT-IdNPACT01306
IUPAC-
Synonyms(3aS,7R,9S,10Z,11aR)-7,9-dihydroxy-10-methyl-3,6-dimethylidene-4,5,7,8,9,11a-hexahydro-3aH-cyclodeca[b]furan-2-one;Cyclodeca(b)furan-2(3H)-one, 3a,4,5,6,7,8,9,11a-octahydro-7,9-dihydroxy-10-methyl-3,6-bis(methylene)-, (3aS-(3aR*,7S*,9R*,10E,11aS*))-;
PubChem Id6441492
ClassTerpenoids
In-vitro anticancer activtiy 2 cancer cell lines
In-Vivo anticancer activtiy No
TargetsNo targets found
Properties Physical   Elemental  Topological
InChi KeyKQCHEWVHXSAJIA-ISMVJUEGSA-N
InChi1S/C15H20O4/c1-8-4-5-11-10(3)15(18)19-14(11)6-9(2)13(17)7-12(8)16/h6,11-14,16-17H,1,3-5,7H2,2H3/b9-6-/t11-,12+,13-,14+/m0/s1
SMILESO1[C@H]2[C@@H](CCC(=C)[C@H](O)C[C@H](O)C(=C2)C)C(=C)C1=O
SMART[H]O[C@]1([H])C(=C([H])/[C@@]2([H])OC(=O)C(=C([H])[H])[C@]2([H])C([H])([H])C([H])([H])C(=C([H])[H])[C@]([H])(O[H])C1([H])[H])C([H])([H])[H]
CAS No.28148-84-7
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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