NPACT- Naturally occuring Plant based Anticancerous Compound-Activity-Target DataBase
a
CompoundPeonidin
NPACT-IdNPACT00849
IUPAC2-(4-hydroxy-3-methoxyphenyl)chromenylium-3,5,7-triol
Synonyms-
PubChem Id441773
ClassFlavonoid
In-vitro anticancer activity 1 cancer cell lines
In-Vivo anticancer activity No
TargetsCOX-1 | COX-2 | MAPK1 | MAPK3 |   All | 
Properties Physical   Elemental  Topological
InChi KeyADDPXNOYYJZXTM-UHFFFAOYSA-N
InChi1S/C16H13O7/c1-22-13-4-7(2-3-9(13)17)15-12(20)5-8-10(18)6-11(19)14(21)16(8)23-15/h2-6,17-21H,1H3
SMILESc1(cc(c(c2c1C=C(C(=[O]2)c1cc(c(cc1)O)OC)O)O)O)O
SMART[#6]OC1=CC(=CC=C1O)C1=[O]C2=C(O)C(O)=CC(O)=C2C=C1O
CAS No.134-01-0
Structure
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Cross Refrence in other databases
Super Natural   000134010
CTD   C473205
HIT   -
NCI-60 GI50 data   -
Suppliers NA, 
Drug-Likeliness Filters Lipinski's rule of five   Yes
Ghose filter   Yes
Veber filter   No
Muegge Filter   Yes
Similarity SearchHuman metabolite databaseFDA approved drugs

 






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