NPACT- Naturally occuring Plant based Anticancerous Compound-Activity-Target DataBase
CompoundRosmanol
NPACT-IdNPACT00927
IUPAC-
Synonyms-
PubChem Id455261
ClassTerpenoids
In-vitro anticancer activtiy 1 cancer cell lines
In-Vivo anticancer activtiy No
TargetsBAX | BID | CASP3 | CASP9 | Fas | FASLG | PARP1 |   All | 
Properties Physical   Elemental  Topological
InChi KeyLCAZOMIGFDQMNC-FSTFFMDFSA-N
InChi1S/C20H26O5/c1-9(2)10-8-11-12(15(23)13(10)21)20-7-5-6-19(3,4)17(20)16(14(11)22)25-18(20)24/h8-9,14,16-17,21-23H,5-7H2,1-4H3/t14-,16+,17?,20-/m0/s1
SMILESO1[C@H]2[C@H]3[C@](CCCC3(C)C)(c3c([C@@H]2O)cc(c(O)c3O)C(C)C)C1=O
SMART[H]OC1=C(C([H])=C2C(=C1O[H])[C@]13C(=O)O[C@@]([H])([C@]1([H])[C@@](C([H])([H])[H])(C([H])([H])[H])C([H])([H])C([H])([H])C3([H])[H])[C@@]2([H])O[H])[C@@]([H])(C([H])([H])[H])C([H])([H])[H]
CAS No.80225-53-2
Structure
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Cross Refrence in other databases
Super Natural   -
CTD   C465581
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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