NPACT- Naturally occuring Plant based Anticancerous Compound-Activity-Target DataBase
CompoundIsoiguesterol
NPACT-IdNPACT01239
IUPAC-
Synonyms-
PubChem Id10477355
ClassTerpenoids
In-vitro anticancer activtiy 1 cancer cell lines
In-Vivo anticancer activtiy No
TargetsNo targets found
Properties Physical   Elemental  Topological
InChi KeyRRKSDDREVOXSJD-VOEASNBBSA-N
InChi1S/C28H38O3/c1-17-19-6-7-22-26(3,20(19)15-21(30)24(17)31)11-13-28(5)23-14-18(16-29)8-9-25(23,2)10-12-27(22,28)4/h6-7,15,18,23,29,31H,8-14,16H2,1-5H3/t18-,23-,25-,26+,27-,28+/m1/s1
SMILESOC[C@H]1C[C@H]2[C@]3([C@](CC[C@]2(CC1)C)(C1=CC=C2C(=CC(=O)C(=C2C)O)[C@@]1(CC3)C)C)C
SMART[H]OC1=C(C2=C([H])C([H])=C3[C@@](C2=C([H])C1=O)(C([H])([H])[H])C([H])([H])C([H])([H])[C@@]1(C([H])([H])[H])[C@]2([H])C([H])([H])[C@]([H])(C([H])([H])O[H])C([H])([H])C([H])([H])[C@]2(C([H])([H])[H])C([H])([H])C([H])([H])[C@]31C([H])([H])[H])C([H])([H])[H]
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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