NPACT- Naturally occuring Plant based Anticancerous Compound-Activity-Target DataBase
CompoundPsoralen
NPACT-IdNPACT00882
IUPACfuro[3,2-g]chromen-7-one
SynonymsPsoralen;Ficusin;Furocoumarin;Psoralene;7H-Furo[3,2-g][1]benzopyran-7-one;Psorline-P;Furo(3,2-g)-coumarin;7H-Furo(3,2-g)(1)benzopyran-7-one;furo[3,2-g]chromen-7-one
PubChem Id6199
ClassBenzopyranoids
In-vitro anticancer activtiy 5 cancer cell lines
In-Vivo anticancer activtiy No
TargetsNQO1 | ODC1 |   All | 
Properties Physical   Elemental  Topological
InChi KeyZCCUUQDIBDJBTK-UHFFFAOYSA-N
InChi1S/C11H6O3/c12-11-2-1-7-5-8-3-4-13-9(8)6-10(7)14-11/h1-6H
SMILESo1c2c(cc3c(oc(=O)cc3)c2)cc1
SMART[H]C1=C([H])C2=C(O1)C([H])=C1OC(=O)C([H])=C([H])C1=C2[H]
CAS No.66-97-7
Structure
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Cross Refrence in other databases
Super Natural   000066977
CTD   D011564
HIT   C0467
NCI-60 GI50 data   -
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Drug-Likeliness Filters Lipinski's rule of five   Yes
Ghose filter   Yes
Veber filter   Yes
Muegge Filter   No
Similarity SearchHuman metabolite databaseFDA approved drugs

 






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