NPACT- Naturally occuring Plant based Anticancerous Compound-Activity-Target DataBase
Compound7-epi-7-O-methylrosmanol
NPACT-IdNPACT00196
IUPAC-
Synonyms-
PubChem Id9950773
ClassTerpenoids
In-vitro anticancer activtiy 1 cancer cell lines
In-Vivo anticancer activtiy No
TargetsNo targets found
Properties Physical   Elemental  Topological
InChi KeyXNPVHIQPSAZTLC-UHFFFAOYSA-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
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[#6]O[C@H]1[C@H]2OC(=O)[C@@]3(CCC[C@]([#6])([#6])[C@@H]23)C2=C(O)C(O)=C(C=C12)[C@@H]([#6])[#6]
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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