NPACT- Naturally occuring Plant based Anticancerous Compound-Activity-Target DataBase
CompoundOropheolide
NPACT-IdNPACT01288
IUPAC-
Synonyms-
PubChem Id44606075
ClassPolyketides
In-vitro anticancer activity 4 cancer cell lines
In-Vivo anticancer activity No
TargetsNo targets found
Properties Physical   Elemental  Topological
InChi KeyPNMPARWIIBHFCP-UXHICEINSA-N
InChi1S/C21H26O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-17-20(18-22)24-21(19)23/h2,19-20,22H,1,3-4,11-18H2/t19-,20+/m1/s1
SMILESO1[C@@H](C[C@@H](CCCCCCC#CC#CC#CCCC=C)C1=O)CO
SMART[H]OC([H])([H])[C@@]1([H])OC(=O)[C@]([H])(C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C#CC#CC#CC([H])([H])C([H])([H])C([H])=C(/[H])[H])C1([H])[H]
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   No
Ghose filter   Yes
Veber filter   No
Muegge Filter   No
Similarity SearchHuman metabolite databaseFDA approved drugs

 






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