NPACT- Naturally occuring Plant based Anticancerous Compound-Activity-Target DataBase
Compoundelliptifoline
NPACT-IdNPACT01573
IUPAC-
Synonyms-
PubChem Id11802113
ClassUnknown
In-vitro anticancer activtiy 5 cancer cell lines
In-Vivo anticancer activtiy No
TargetsNo targets found
Properties Physical   Elemental  Topological
InChi KeyVRXIZYQZACJUDE-AOHDHECJSA-N
InChi1S/C36H40N2O8/c1-6-21(2)32(39)37-28-13-10-18-38(28)33(40)31-29(22-11-8-7-9-12-22)36(23-14-16-24(43-3)17-15-23)34(41)35(31,42)30-26(45-5)19-25(44-4)20-27(30)46-36/h6-9,11-12,14-17,19-20,28-29,31,34,41-42H,10,13,18H2,1-5H3,(H,37,39)/b21-6+/t28-,29+,31-,34-,
SMILESO1[C@]2([C@@H]([C@H]([C@](O)([C@@H]2O)c2c1cc(OC)cc2OC)C(=O)N1[C@H](NC(=O)/C(=C/C)/C)CCC1)c1ccccc1)c1ccc(OC)cc1
SMART[#6]OC1=CC=C(C=C1)[C@@]12OC3=C(C(O[#6])=CC(O[#6])=C3)[C@@](O)([C@@H]1O)[C@@H]([C@H]2C1=CC=CC=C1)C(=O)N1CCC[C@H]1NC(=O)C([#6])=C[#6]
CAS No.-
Structure
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Cross Refrence in other databases
Super Natural   -
CTD   C428176
HIT   -
NCI-60 GI50 data   -
Suppliers NA, 
Drug-Likeliness Filters Lipinski's rule of five   No
Ghose filter   No
Veber filter   Yes
Muegge Filter   No
Similarity SearchHuman metabolite databaseFDA approved drugs

 






Copyright © 2012. Subhash M. Agagrwal. All Rights Reserved.