NPACT- Naturally occuring Plant based Anticancerous Compound-Activity-Target DataBase
a
Compound7-O-methylrosmanol
NPACT-IdNPACT00199
IUPAC-
Synonyms7-O-Methylrosmanol
PubChem Id455262
ClassTerpenoids
In-vitro anticancer activity 1 cancer cell lines
In-Vivo anticancer activity No
TargetsNo targets found
Properties Physical   Elemental  Topological
InChi KeyXNPVHIQPSAZTLC-APZTZJSISA-N
InChi1S/C21H28O5/c1-10(2)11-9-12-13(15(23)14(11)22)21-8-6-7-20(3,4)18(21)17(16(12)25-5)26-19(21)24/h9-10,16-18,22-23H,6-8H2,1-5H3/t16-,17+,18?,21-/m0/s1
SMILESO1[C@H]2[C@H]3[C@](CCCC3(C)C)(c3c([C@@H]2OC)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])OC([H])([H])[H])[C@@]([H])(C([H])([H])[H])C([H])([H])[H]
CAS No.-
Structure
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Cross Refrence in other databases
Super Natural   -
CTD   -
HIT   -
NCI-60 GI50 data   -
Suppliers ABI Chem, Ambinter, 
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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