NPACT- Naturally occuring Plant based Anticancerous Compound-Activity-Target DataBase
a
CompoundGambogoic acid
NPACT-IdNPACT01542
IUPAC-
Synonyms-
PubChem Id-
ClassSimple aromatic natural products
In-vitro anticancer activity 5 cancer cell lines
In-Vivo anticancer activity No
TargetsNo targets found
Properties Physical   Elemental  Topological
InChi KeyWRIWCDIPAFGNEY-HMAPJEAMSA-N
InChi1S/C39H48O9/c1-20(2)11-10-16-37(8)17-15-23-29(40)27-30(41)28-33(45-9)25-19-26-36(6,7)48-38(34(25)42,18-14-22(5)35(43)44)39(26,28)47-32(27)24(31(23)46-37)13-12-21(3)4/h11-12,14-15,17,25-26,28,33,40H,10,13,16,18-19H2,1-9H3,(H,43,44)/b22-14-
SMILESO1C(C=Cc2c1c(c1c(c2O)C(=O)C2C3(O1)C1(C(=O)C(C2OC)CC3C(O1)(C)C)C/C=C(/C)C(=O)O)CC=C(C)C)(C)CCC=C(C)C
SMART[#6]OC1C2CC3C([#6])([#6])OC(CC=C([#6])C(O)=O)(C2=O)C32OC3=C(C(=O)C12)C(O)=C1C=CC([#6])(CCC=C([#6])[#6])OC1=C3CC=C(/[#6])[#6]
CAS No.-
Structure
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Cross Refrence in other databases
Super Natural   -
CTD   C052659
HIT   -
NCI-60 GI50 data   -
Suppliers NA, 
Drug-Likeliness Filters Lipinski's rule of five   No
Ghose filter   No
Veber filter   Yes
Muegge Filter   No
Similarity SearchHuman metabolite databaseFDA approved drugs

 






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