NPACT- Naturally occuring Plant based Anticancerous Compound-Activity-Target DataBase
Compoundpseudoisopsoralen
NPACT-IdNPACT01301
IUPAC-
Synonymsfuro[3,2-h]chromen-8-one;8H-Furo(3,2-h)(1)benzopyran-8-one;
PubChem Id3083917
ClassBenzopyranoids
In-vitro anticancer activity 2 cancer cell lines
In-Vivo anticancer activity No
TargetsNo targets found
Properties Physical   Elemental  Topological
InChi KeyMLMVLVJMKDPYBM-UHFFFAOYSA-N
InChi1S/C11H6O3/c12-9-4-3-7-1-2-8-5-6-13-10(8)11(7)14-9/h1-6H
SMILESo1c2c3oc(=O)ccc3ccc2cc1
SMART[H]C1=C([H])C2=C(O1)C1=C(C([H])=C2[H])C([H])=C([H])C(=O)O1
CAS No.5768-44-5
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   No
Similarity SearchHuman metabolite databaseFDA approved drugs

 






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