NPACT- Naturally occuring Plant based Anticancerous Compound-Activity-Target DataBase
a
Compound5-epi-Vibsanin C
NPACT-IdNPACT01518
IUPAC[(Z)-2-[(1R,2S,7S)-5-(hydroxymethyl)-2-methyl-2-(4-methylpent-3-enyl)-6-oxo-7-(2-oxopropyl)cyclohept-4-en-1-yl]ethenyl] 3-methylbut-2-enoate
Synonyms-
PubChem Id11327504
ClassTerpenoids
In-vitro anticancer activity 1 cancer cell lines
In-Vivo anticancer activity No
TargetsNo targets found
Properties Physical   Elemental  Topological
InChi KeyFUJYXGPHSQJMJL-AWJLUJOMSA-N
InChi1S/C25H36O5/c1-17(2)8-7-11-25(6)12-9-20(16-26)24(29)21(15-19(5)27)22(25)10-13-30-23(28)14-18(3)4/h8-10,13-14,21-22,26H,7,11-12,15-16H2,1-6H3/b13-10-/t21-,22+,25-/m0/s1
SMILESO=C1[C@H]([C@H]([C@](CC=C1CO)(CCC=C(C)C)C)/C=COC(=O)C=C(C)C)CC(=O)C
SMARTOCC1=CC[C@]([#6])(CCC=C([#6])[#6])[C@H](C=C/OC(=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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