NPACT- Naturally occuring Plant based Anticancerous Compound-Activity-Target DataBase
CompoundIsodihydrocostunolide
NPACT-IdNPACT00673
IUPAC(3aR,6S,10E,11aR)-6,10-dimethyl-3-methylidene-3a,4,5,6,7,8,9,11a-octahydrocyclodeca[b]furan-2-one
Synonyms-
PubChem Id24893995
ClassTerpenoids
In-vitro anticancer activtiy 4 cancer cell lines
In-Vivo anticancer activtiy No
TargetsNo targets found
Properties Physical   Elemental  Topological
InChi KeyDCNAVROPXHTJGM-DKWJYAAYSA-N
InChi1S/C15H22O2/c1-10-5-4-6-11(2)9-14-13(8-7-10)12(3)15(16)17-14/h9-10,13-14H,3-8H2,1-2H3/b11-9+/t10-,13+,14+/m0/s1
SMILESO1[C@H]2[C@H](CC[C@H](CCCC(=C2)C)C)C(=C)C1=O
SMART[H]C([H])=C1C(=O)O[C@]2([H])C([H])=C(C([H])([H])[H])C([H])([H])C([H])([H])C([H])([H])[C@]([H])(C([H])([H])[H])C([H])([H])C([H])([H])[C@]12[H]
CAS No.-
Structure
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Cross Refrence in other databases
Super Natural   -
CTD   -
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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