NPACT- Naturally occuring Plant based Anticancerous Compound-Activity-Target DataBase
CompoundLudovicin A
NPACT-IdNPACT01254
IUPAC-
Synonyms(1ar,3s,3ar,5as,8as,8bs,8cs)-3-hydroxy-3a,8c-dimethyl-6-methylidenedecahydrooxireno[7,8]naphtho[1,2-b]furan-7(2h)-one;Oxireno(7,8)naphtho(1,2-b)furan-7(2H)-one, decahydro-3-hydroxy-3a,8c-dimethyl-6-methylene-, (1aR-(1aalpha,3beta,3aalpha,5abeta,8aalpha,8bbeta,8calpha))-;
PubChem Id168722
ClassTerpenoids
In-vitro anticancer activity 2 cancer cell lines
In-Vivo anticancer activity No
TargetsNFKB1 |   All | 
Properties Physical   Elemental  Topological
InChi KeyOAWNDSFRANSMHG-PDIQHLCYSA-N
InChi1S/C15H20O4/c1-7-8-4-5-14(2)9(16)6-10-15(3,19-10)12(14)11(8)18-13(7)17/h8-12,16H,1,4-6H2,2-3H3/t8-,9-,10+,11-,12+,14-,15+/m0/s1
SMILESO1[C@]2([C@H]3[C@]([C@@H](O)C[C@@H]12)(CC[C@@H]1[C@@H]3OC(=O)C1=C)C)C
SMART[H]O[C@@]1([H])C([H])([H])[C@@]2([H])O[C@@]2(C([H])([H])[H])[C@]2([H])[C@@]3([H])OC(=O)C(=C(/[H])[H])[C@]3([H])C([H])([H])C([H])([H])[C@@]12C([H])([H])[H]
CAS No.22740-13-2
Structure
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Cross Refrence in other databases
Super Natural   -
CTD   -
HIT   -
NCI-60 GI50 data   -
Suppliers AAA Chemistry, ABI Chem, Kingston Chemistry, 
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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