NPACT- Naturally occuring Plant based Anticancerous Compound-Activity-Target DataBase
a
Compoundencelin
NPACT-IdNPACT01196
IUPAC-
SynonymsDehydrofarinosin;Farinosin, dehydro-;naphtho[2,3-b]furan-2,6(3h,4h)-dione, 3a,4a,5,8a,9,9a-hexahydro-8a-methyl-3,5-bis(methylene)-,(3ar,4ar,8as,9ar)-;
PubChem Id72540
ClassTerpenoids
In-vitro anticancer activity 2 cancer cell lines
In-Vivo anticancer activity No
TargetsNo targets found
Properties Physical   Elemental  Topological
InChi KeyLXMUZMFQJGRVFW-NDPMZMCLSA-N
InChi1S/C15H16O3/c1-8-10-6-11-9(2)12(16)4-5-15(11,3)7-13(10)18-14(8)17/h4-5,10-11,13H,1-2,6-7H2,3H3/t10-,11+,13-,15-/m1/s1
SMILESO1[C@H]2[C@H](C[C@@H]3[C@](C2)(C)C=CC(=O)C3=C)C(=C)C1=O
SMART[H]C([H])=C1C(=O)O[C@]2([H])C([H])([H])[C@]3(C([H])=C([H])C(=O)C(=C(/[H])[H])[C@]3([H])C([H])([H])[C@]12[H])C([H])([H])[H]
CAS No.15569-50-3
Structure
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Cross Refrence in other databases
Super Natural   -
CTD   C093533
HIT   -
NCI-60 GI50 data   15569-50-3
Suppliers AAA Chemistry, 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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