NPACT- Naturally occuring Plant based Anticancerous Compound-Activity-Target DataBase
Compound9'-(o-methyl)protocetraric acid
NPACT-IdNPACT01543
IUPAC-
Synonyms-
PubChem Id-
ClassUnknown
In-vitro anticancer activity 6 cancer cell lines
In-Vivo anticancer activity No
TargetsNo targets found
Properties Physical   Elemental  Topological
InChi KeyIJJZZLYYFYYEHT-UHFFFAOYSA-N
InChi1S/C19H16O9/c1-7-4-11(21)9(5-20)16-12(7)19(25)28-17-10(6-26-3)14(22)13(18(23)24)8(2)15(17)27-16/h4-5,21-22H,6H2,1-3H3,(H,23,24)
SMILESC1(=O)Oc2c(Oc3c(c(cc(c13)C)O)C=O)c(c(c(c2COC)O)C(=O)O)C
SMART[H]C(=O)C1=C2OC3=C(OC(=O)C2=C([#6])C=C1O)C(CO[#6])=C(O)C(C(O)=O)=C3[#6]
CAS No.-
Structure
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Cross Refrence in other databases
Super Natural   -
CTD   -
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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