NPACT- Naturally occuring Plant based Anticancerous Compound-Activity-Target DataBase
Compound15-epi-4E-jatrogrossidentadion
NPACT-IdNPACT00044
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 KeyFBVWSXCVYVNYII-XPKHVHIMSA-N
InChi1S/C20H28O4/c1-11-8-14-13(18(14,3)4)6-7-19(5,23)10-15-16(21)12(2)9-20(15,24)17(11)22/h9-11,13-14,23-24H,6-8H2,1-5H3/b15-10-/t11-,13+,14-,19+,20+/m1/s1
SMILESC1(=O)[C@@H](C[C@@H]2[C@H](CC[C@@](C=C3C(=O)C(=C[C@@]13O)C)(O)C)C2(C)C)C
SMART[#6][C@@H]1C[C@]2([H])[C@]([H])(CC[C@@](O)([#6])C=C3C(=O)C([#6])=C[C@@]3(O)C1=O)[C@@]2([#6])[#6]
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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