NPACT- Naturally occuring Plant based Anticancerous Compound-Activity-Target DataBase
CompoundEnt-8,9-Seco-7-alpha-hydroxy-17-thiophenylkaur-8(14)-en-9,15-dione
NPACT-IdNPACT00535
IUPAC-
Synonyms-
PubChem Id10670128
ClassTerpenoids
In-vitro anticancer activtiy 1 cancer cell lines
In-Vivo anticancer activtiy No
TargetsNo targets found
Properties Physical   Elemental  Topological
InChi KeyZGAZLDOAFMUNOH-IHXIMJEQSA-N
InChi1S/C26H34O3S/c1-25(2)12-7-13-26(3)22(25)15-21(27)19-14-17(10-11-23(26)28)20(24(19)29)16-30-18-8-5-4-6-9-18/h4-6,8-9,14,17,20-22,27H,7,10-13,15-16H2,1-3H3/t17-,20+,21+,22+,26+/m0/s1
SMILESS(C[C@@H]1[C@H]2CCC(=O)[C@]3([C@@H](C(CCC3)(C)C)C[C@@H](O)C(=C2)C1=O)C)c1ccccc1
SMART[#6][C@]1([#6])CCC[C@]2([#6])[C@@H]1C[C@@H](O)C1=C[C@H](CCC2=O)[C@@H](CSC2=CC=CC=C2)C1=O
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   No
Similarity SearchHuman metabolite databaseFDA approved drugs

 






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