NPACT- Naturally occuring Plant based Anticancerous Compound-Activity-Target DataBase
a
CompoundJacaranone
NPACT-IdNPACT00687
IUPACmethyl 2-(1-hydroxy-4-oxocyclohexa-2,5-dien-1-yl)acetate
Synonymsmethyl(1-hydroxy-4-oxocyclohexa-2,5-dien-1-yl)acetate;Jacaramome
PubChem Id73307
ClassSimple aromatic natural products
In-vitro anticancer activity 3 cancer cell lines
In-Vivo anticancer activity Yes
TargetsNo targets found
Properties Physical   Elemental  Topological
InChi KeyWJZSKNRPRWCLLK-UHFFFAOYSA-N
InChi1S/C9H10O4/c1-13-8(11)6-9(12)4-2-7(10)3-5-9/h2-5,12H,6H2,1H3
SMILESO[C@]1(CC(=O)OC)C=CC(=O)C=C1
SMART[H]O[C@@]1(C([H])=C([H])C(=O)C([H])=C1[H])C([H])([H])C(=O)OC([H])([H])[H]
CAS No.60263-07-2
Structure
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Cross Refrence in other databases
Super Natural   -
CTD   C013077
HIT   -
NCI-60 GI50 data   -
Suppliers AAA Chemistry, ABI Chem, Ambinter, ChemFrog, ZINC, 
Drug-Likeliness Filters Lipinski's rule of five   Yes
Ghose filter   No
Veber filter   Yes
Muegge Filter   No
Similarity SearchHuman metabolite databaseFDA approved drugs

 






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