NPACT- Naturally occuring Plant based Anticancerous Compound-Activity-Target DataBase
Compound(1R,2S,4S,5R,7R,9S,10R)-1-alpha-Benzoyloxy-2-alpha,15-diacetoxy-4-beta-hydroxy-9-beta-cinnamoyloxy-beta-dihydroagarofuran
NPACT-IdNPACT01539
IUPAC-
Synonyms-
PubChem Id-
ClassTerpenoids
In-vitro anticancer activtiy 1 cancer cell lines
In-Vivo anticancer activtiy No
TargetsNo targets found
Properties Physical   Elemental  Topological
InChi KeyYTLKRUANCXKUKM-WUKNDPDISA-N
InChi1S/C34H38O10/c1-21(35)40-26-20-32(5,39)33-19-25(31(3,4)44-33)18-27(41-28(37)17-16-23-12-8-6-9-13-23)34(33,43-22(2)36)29(26)42-30(38)24-14-10-7-11-15-24/h6-17,25-27,29,39H,18-20H2,1-5H3/b17-16+
SMILESC1(C(CC(C23C1(C(CC(C2)C(O3)(C)C)OC(=O)/C=C/c1ccccc1)OC(=O)C)(O)C)OC(=O)C)OC(=O)c1ccccc1
SMART[#6]C(=O)OC1CC([#6])(O)C23CC(CC(OC(=O)C=CC4=CC=CC=C4)C2(OC([#6])=O)C1OC(=O)C1=CC=CC=C1)C([#6])([#6])O3
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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