NPACT- Naturally occuring Plant based Anticancerous Compound-Activity-Target DataBase
CompoundJatropholone
NPACT-IdNPACT00688
IUPAC-
Synonyms-
PubChem Id324064
ClassTerpenoids
In-vitro anticancer activtiy 1 cancer cell lines
In-Vivo anticancer activtiy No
TargetsNo targets found
Properties Physical   Elemental  Topological
InChi KeyBMHPRIPRPDSKRK-UHFFFAOYSA-N
InChi1S/C20H24O2/c1-9-6-7-13-17(20(13,4)5)15-11(3)19(22)12-8-10(2)18(21)16(12)14(9)15/h10,13,17,22H,1,6-8H2,2-5H3
SMILESOc1c(c2[C@@H]3C([C@@H]3CCC(=C)c2c2c1C[C@@H](C2=O)C)(C)C)C
SMART[H]OC1=C2C(C(=O)[C@@]([H])(C([H])([H])[H])C2([H])[H])=C2C(=C1C([H])([H])[H])[C@@]1([H])[C@@]([H])(C([H])([H])C([H])([H])C2=C(/[H])[H])[C@@]1(C([H])([H])[H])C([H])([H])[H]
CAS No.71801-45-1
Structure
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Cross Refrence in other databases
Super Natural   -
CTD   -
HIT   -
NCI-60 GI50 data   -
Suppliers ABI Chem, 
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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