NPACT- Naturally occuring Plant based Anticancerous Compound-Activity-Target DataBase
CompoundCedronolactones D
NPACT-IdNPACT00410
IUPAC(2R,4aS,6aR,6aS,14aS,14bR)-10-hydroxy-2,4a,6a,6a,9,14a-hexamethyl-11-oxo-1,3,4,5,6,13,14,14b-octahydropicene-2-carboxylicacid
Synonyms-
PubChem Id10548655
ClassTerpenoids
In-vitro anticancer activity 1 cancer cell lines
In-Vivo anticancer activity No
TargetsNo targets found
Properties Physical   Elemental  Topological
InChi KeyYBVSXIRROIXGQK-ZMVSGXBYSA-N
InChi1S/C20H26O8/c1-7-4-9(21)15(25)18(2)8(7)5-10(22)20-6-27-19(3)14(20)12(24)17(26)28-16(19)11(23)13(18)20/h4,8,10-16,22-25H,5-6H2,1-3H3/t8-,10+,11+,12-,13+,14-,15+,16-,18-,19-,20+/m0/s1
SMILESO1[C@]2([C@H]3[C@]4([C@@H]([C@@]5([C@@H](C[C@H]4O)C(=CC(=O)[C@H]5O)C)C)[C@@H](O)[C@@H]2OC(=O)[C@H]3O)C1)C
SMART[#6]C1=CC(=O)[C@@H](O)[C@@]2([#6])[C@H]1C[C@@H](O)[C@@]13CO[C@@]4([#6])[C@@H]1[C@H](O)C(=O)O[C@H]4[C@H](O)[C@H]23
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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