NPACT- Naturally occuring Plant based Anticancerous Compound-Activity-Target DataBase
CompoundDiacetylwithaferin A
NPACT-IdNPACT00500
IUPAC-
Synonyms-
PubChem Id-
ClassSteroids
In-vitro anticancer activtiy 4 cancer cell lines
In-Vivo anticancer activtiy No
TargetsNo targets found
Properties Physical   Elemental  Topological
InChi KeyARTYOOFBEGPUAU-MNXZSPLNSA-N
InChi1S/C30H40O7/c1-15-12-23(36-27(34)19(15)14-35-17(3)31)16(2)20-6-7-21-18-13-26-30(37-26)25(33)9-8-24(32)29(30,5)22(18)10-11-28(20,21)4/h8-9,16,18,20-23,25-26,33H,6-7,10-14H2,1-5H3/t16-,18-,20+,21-,22+,23+,25-,26+,28+,29-,30+/m0/s1
SMILESC1(=O)C=C[C@@H]([C@]23[C@]1([C@H]1[C@@H](C[C@H]2O3)[C@H]2[C@](CC1)([C@H](CC2)[C@@H]([C@H]1CC(=C(COC(=O)C)C(=O)O1)C)C)C)C)O
SMART[#6][C@@H]([C@H]1CC[C@H]2[C@@H]3C[C@H]4O[C@]44[C@@H](O)C=CC(=O)[C@]4([#6])[C@@H]3CC[C@]12[#6])[C@H]1CC([#6])=C(COC([#6])=O)C(=O)O1
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   Yes
Muegge Filter   Yes
Similarity SearchHuman metabolite databaseFDA approved drugs

 






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