NPACT- Naturally occuring Plant based Anticancerous Compound-Activity-Target DataBase
a
CompoundCajanol
NPACT-IdNPACT00311
IUPAC5-hydroxy-3-(4-hydroxy-2-methoxyphenyl)-7-methoxy-2,3-dihydrochromen-4-one
Synonyms5-hydroxy-3-(4-hydroxy-2-methoxyphenyl)-7-methoxy-2,3-dihydrochromen-4-one
PubChem Id442670
ClassFlavonoid
In-vitro anticancer activity 1 cancer cell lines
In-Vivo anticancer activity No
TargetsNo targets found
Properties Physical   Elemental  Topological
InChi KeyRYYWWFXWFMYKJM-UHFFFAOYSA-N
InChi1S/C17H16O6/c1-21-10-6-13(19)16-15(7-10)23-8-12(17(16)20)11-4-3-9(18)5-14(11)22-2/h3-7,12,18-19H,8H2,1-2H3
SMILESO1CC(c2c(OC)cc(O)cc2)C(=O)c2c1cc(OC)cc2O
SMART[#6]OC1=CC(O)=C2C(=O)C(COC2=C1)C1=C(O[#6])C=C(O)C=C1
CAS No.61020-70-0
Structure
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Cross Refrence in other databases
Super Natural   -
CTD   C471767
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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