NPACT- Naturally occuring Plant based Anticancerous Compound-Activity-Target DataBase
CompoundOsthole
NPACT-IdNPACT00838
IUPAC7-methoxy-8-(3-methylbut-2-enyl)chromen-2-one
SynonymsOsthole;Osthol;Ostole;Ostol;2H-1-Benzopyran-2-one, 7-methoxy-8-(3-methyl-2-butenyl)-;7-Methoxy-8-isopentenylcoumarin;8-(3-Methyl-2-butenyl)herniarin;Coumarin, 7-methoxy-8-(3-methyl-2-butenyl)-
PubChem Id10228
ClassBenzopyranoids
In-vitro anticancer activity 2 cancer cell lines
In-Vivo anticancer activity No
TargetsBCL2 | CCNB1 | CDK1 |   All | 
Properties Physical   Elemental  Topological
InChi KeyMBRLOUHOWLUMFF-UHFFFAOYSA-N
InChi1S/C15H16O3/c1-10(2)4-7-12-13(17-3)8-5-11-6-9-14(16)18-15(11)12/h4-6,8-9H,7H2,1-3H3
SMILESo1c2c(CC=C(C)C)c(OC)ccc2ccc1=O
SMART[H]C(=C(C([H])([H])[H])C([H])([H])[H])C([H])([H])C1=C(OC([H])([H])[H])C([H])=C([H])C2=C1OC(=O)C([H])=C2[H]
CAS No.484-12-8
Structure
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Cross Refrence in other databases
Super Natural   -
CTD   C046627
HIT   C0101
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   Yes
Similarity SearchHuman metabolite databaseFDA approved drugs

 






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