NPACT- Naturally occuring Plant based Anticancerous Compound-Activity-Target DataBase
CompoundYunnanin A
NPACT-IdNPACT01028
IUPAC-
Synonyms-
PubChem Id44584206
ClassAminoacids and peptides
In-vitro anticancer activity 4 cancer cell lines
In-Vivo anticancer activity No
TargetsNo targets found
Properties Physical   Elemental  Topological
InChi KeyGIKMZVPXQPZWDF-FWEHEUNISA-N
InChi1S/C34H41N7O8/c42-23-12-10-22(11-13-23)16-24-31(46)37-20-30(45)40-14-4-9-27(40)33(48)39-25(17-21-6-2-1-3-7-21)34(49)41-15-5-8-26(41)32(47)36-18-28(43)35-19-29(44)38-24/h1-3,6-7,10-13,24-27,42H,4-5,8-9,14-20H2,(H,35,43)(H,36,47)(H,37,46)(H,38,44)(H,39,48)/
SMILESO=C1N2[C@@H](CCC2)C(=O)NCC(=O)NCC(=O)N[C@H](C(=O)NCC(=O)N2[C@@H](CCC2)C(=O)N[C@H]1Cc1ccccc1)Cc1ccc(O)cc1
SMART[H]OC1=C([H])C([H])=C(C([H])=C1[H])C([H])([H])[C@]1([H])N([H])C(=O)C([H])([H])N([H])C(=O)C([H])([H])N([H])C(=O)[C@@]2([H])N(C(=O)[C@@]([H])(N([H])C(=O)[C@@]3([H])N(C(=O)C([H])([H])N([H])C1=O)C([H])([H])C([H])([H])C3([H])[H])C([H])([H])C1=C([H])C([H])=C([H])C([H])=C1[H])C([H])([H])C([H])([H])C2([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   No
Veber filter   No
Muegge Filter   No
Similarity SearchHuman metabolite databaseFDA approved drugs

 






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