NPACT- Naturally occuring Plant based Anticancerous Compound-Activity-Target DataBase
CompoundGlaucarubolone
NPACT-IdNPACT00627
IUPAC-
Synonyms(1|A,12|A,15|A)-1,11,12,15-tetrahydroxy-11,20-epoxypicras-3-ene-2,16-dione;(-)-Glaucarubolone;Picras-3-ene-2,16-dione, 11,20-epoxy-1,11,12,15-tetrahydroxy-, (1.beta.,11.beta.,12.alpha.,15.beta.)-;(-)-Glaucarubolone
PubChem Id277765
ClassTerpenoids
In-vitro anticancer activtiy 1 cancer cell lines
In-Vivo anticancer activtiy No
TargetsNo targets found
Properties Physical   Elemental  Topological
InChi KeyFJHVIRYYVWNHSM-WHWNBKLNSA-N
InChi1S/C20H26O8/c1-7-4-10(21)15(24)18(3)9(7)5-11-19-6-27-20(26,17(18)19)14(23)8(2)12(19)13(22)16(25)28-11/h4,8-9,11-15,17,22-24,26H,5-6H2,1-3H3/t8-,9+,11-,12-,13-,14-,15-,17-,18-,19+,20?/m1/s1
SMILESO1[C@]2(O)[C@H]3[C@@]4([C@H]([C@H]([C@H]2O)C)[C@@H](O)C(=O)O[C@@H]4C[C@@H]2[C@@]3([C@H](O)C(=O)C=C2C)C)C1
SMART[H]O[C@@]1([H])C(=O)O[C@]2([H])C([H])([H])[C@@]3([H])C(=C([H])C(=O)[C@@]([H])(O[H])[C@]3(C([H])([H])[H])[C@@]3([H])[C@@]4(O[H])OC([H])([H])[C@@]23[C@]1([H])[C@@]([H])(C([H])([H])[H])[C@@]4([H])O[H])C([H])([H])[H]
CAS No.1990-01-8
Structure
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Cross Refrence in other databases
Super Natural   -
CTD   C024967
HIT   -
NCI-60 GI50 data   -
Suppliers AAA Chemistry, ABI Chem, Kingston Chemistry, 
Drug-Likeliness Filters Lipinski's rule of five   Yes
Ghose filter   No
Veber filter   Yes
Muegge Filter   Yes
Similarity SearchHuman metabolite databaseFDA approved drugs

 






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