NPACT- Naturally occuring Plant based Anticancerous Compound-Activity-Target DataBase
Compound3-alpha-acetoxydiversifolol
NPACT-IdNPACT00112
IUPACmethyl (E)-3-[(2R,4aS,7R,8S,8aR)-7-acetyloxy-8-hydroxy-4a,8-dimethyl-1,2,3,4,5, 6,7,8a-octahydronaphthalen-2-yl]prop-2-enoate
Synonyms-
PubChem Id11120895
ClassTerpenoids
In-vitro anticancer activtiy 2 cancer cell lines
In-Vivo anticancer activtiy No
TargetsNo targets found
Properties Physical   Elemental  Topological
InChi KeyBWEZAELZEOOOJT-POCSJANHSA-N
InChi1S/C18H28O5/c1-12(19)23-15-8-10-17(2)9-7-13(5-6-16(20)22-4)11-14(17)18(15,3)21/h5-6,13-15,21H,7-11H2,1-4H3/b6-5+/t13-,14-,15-,17+,18+/m1/s1
SMILESO[C@]1([C@H]2[C@](CC[C@H]1OC(=O)C)(CC[C@H](C2)/C=C/C(=O)OC)C)C
SMART[#6]OC(=O)C=C[C@@H]1CC[C@@]2([#6])CC[C@@H](OC([#6])=O)[C@@]([#6])(O)[C@@H]2C1
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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