NPACT- Naturally occuring Plant based Anticancerous Compound-Activity-Target DataBase
Compound5-epi-vibsanin H
NPACT-IdNPACT01512
IUPAC[(E)-2-[(1S,2S,7S)-5-(hydroxymethyl)-2-[(E)-4-hydroxy-4-methylpent-2-enyl]-2-methyl-6-oxo-7-(2-oxopropyl)cyclohept-4-en-1-yl]ethenyl] 3-methylbut-2-enoate
Synonyms-
PubChem Id10550692
ClassTerpenoids
In-vitro anticancer activtiy 1 cancer cell lines
In-Vivo anticancer activtiy No
TargetsNo targets found
Properties Physical   Elemental  Topological
InChi KeyIKQKKJHNBJMDBL-TVMFGEKRSA-N
InChi1S/C25H36O6/c1-17(2)14-22(28)31-13-9-21-20(15-18(3)27)23(29)19(16-26)8-12-25(21,6)11-7-10-24(4,5)30/h7-10,13-14,20-21,26,30H,11-12,15-16H2,1-6H3/b10-7+,13-9+/t20-,21-,25-/m0/s1
SMILESO=C1[C@H]([C@@H]([C@](CC=C1CO)(C/C=C/C(O)(C)C)C)/C=C/OC(=O)C=C(C)C)CC(=O)C
SMARTOCC1=CC[C@]([#6])(CC=CC(O)([#6])[#6])[C@@H](C=COC(=O)C=C([#6])[#6])[C@H](CC(=O)[#6])C1=O
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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