NPACT- Naturally occuring Plant based Anticancerous Compound-Activity-Target DataBase
CompoundEnt-7-alpha-Acetoxy-14-beta-hydroxykaur-16-en-15-one
NPACT-IdNPACT00529
IUPAC-
Synonyms-
PubChem Id10713565
ClassTerpenoids
In-vitro anticancer activtiy 1 cancer cell lines
In-Vivo anticancer activtiy No
TargetsNo targets found
Properties Physical   Elemental  Topological
InChi KeyGGCDQFFYAFEDMA-NBTROFBBSA-N
InChi1S/C22H32O4/c1-12-14-7-8-15-21(5)10-6-9-20(3,4)16(21)11-17(26-13(2)23)22(15,18(12)24)19(14)25/h14-17,19,25H,1,6-11H2,2-5H3/t14-,15+,16-,17-,19-,21+,22+/m1/s1
SMILESO([C@H]1[C@]23[C@H]([C@]4([C@H](C1)C(CCC4)(C)C)C)CC[C@@H]([C@H]2O)C(=C)C3=O)C(=O)C
SMART[#6]C(=O)O[C@@H]1C[C@@H]2[C@@]([#6])([#6])CCC[C@@]2([#6])[C@@H]2CC[C@H]3[C@@H](O)[C@]12C(=O)C3=C
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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