NPACT- Naturally occuring Plant based Anticancerous Compound-Activity-Target DataBase
CompoundJustiflorinol
NPACT-IdNPACT00167
IUPAC1,4-bis(1,3-benzodioxol-5-yl)-2-(hydroxymethyl)butane-1,4-dione
Synonyms-
PubChem Id11416971
ClassLignans
In-vitro anticancer activity 1 cancer cell lines
In-Vivo anticancer activity No
TargetsNo targets found
Properties Physical   Elemental  Topological
InChi KeyYNDXXIPMXGSUGT-UHFFFAOYSA-N
InChi1S/C19H16O7/c20-8-13(19(22)12-2-4-16-18(7-12)26-10-24-16)5-14(21)11-1-3-15-17(6-11)25-9-23-15/h1-4,6-7,13,20H,5,8-10H2
SMILESc1c2OCOc2cc(c1)C(=O)CC(CO)C(=O)c1ccc2c(c1)OCO2
SMARTOC[C@H](CC(=O)C1=CC2=C(OCO2)C=C1)C(=O)C1=CC=C2OCOC2=C1
CAS No.-
Structure
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Cross Refrence in other databases
Super Natural   -
CTD   C501782
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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