NPACT- Naturally occuring Plant based Anticancerous Compound-Activity-Target DataBase
CompoundLudovicin B
NPACT-IdNPACT01255
IUPAC-
Synonyms(3as,5ar,6s,8r,9as,9bs)-6,8-dihydroxy-5a-methyl-3,9-dimethylidenedecahydronaphtho[1,2-b]furan-2(3h)-one;(3aS,5aR,6S,8R,9aS,9bS)-6,8-dihydroxy-5a-methyl-3,9-dimethylidene-3a,4,5,6,7,8,9a,9b-octahydrobenzo[g][1]benzofuran-2-one;Naphtho(1,2-b)furan-2(3H)-one, decahydro-6,8-dihydroxy-5a-methyl-3,9-bis(methylene)-, (3aS-(3aalpha,5abeta,6alpha,8alpha,9aalpha,9bbeta))-;
PubChem Id168723
ClassTerpenoids
In-vitro anticancer activtiy 2 cancer cell lines
In-Vivo anticancer activtiy No
TargetsNFKB1 |   All | 
Properties Physical   Elemental  Topological
InChi KeyCXFAEUSGWYVIJU-VPLWTHEFSA-N
InChi1S/C15H20O4/c1-7-9-4-5-15(3)11(17)6-10(16)8(2)12(15)13(9)19-14(7)18/h9-13,16-17H,1-2,4-6H2,3H3/t9-,10+,11-,12+,13-,15-/m0/s1
SMILESO1[C@@H]2[C@@H]3[C@@](CC[C@H]2C(=C)C1=O)([C@@H](O)C[C@@H](O)C3=C)C
SMART[H]O[C@@]1([H])C(=C(/[H])[H])[C@]2([H])[C@@]3([H])OC(=O)C(=C([H])[H])[C@]3([H])C([H])([H])C([H])([H])[C@@]2(C([H])([H])[H])[C@@]([H])(O[H])C1([H])[H]
CAS No.-
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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