NPACT- Naturally occuring Plant based Anticancerous Compound-Activity-Target DataBase
a
CompoundGartanin
NPACT-IdNPACT00602
IUPAC1,3,5,8-tetrahydroxy-2,4-bis(3-methylbut-2-enyl)xanthen-9-one
Synonyms-
PubChem Id5281633
ClassSimple aromatic natural products
In-vitro anticancer activity 3 cancer cell lines
In-Vivo anticancer activity No
TargetsRELA |   All | 
Properties Physical   Elemental  Topological
InChi KeyOJXQLGQIDIPMTE-UHFFFAOYSA-N
InChi1S/C23H24O6/c1-11(2)5-7-13-19(26)14(8-6-12(3)4)22-18(20(13)27)21(28)17-15(24)9-10-16(25)23(17)29-22/h5-6,9-10,24-27H,7-8H2,1-4H3
SMILESo1c2c(c(O)c(c(O)c2c(=O)c2c1c(O)ccc2O)CC=C(C)C)CC=C(C)C
SMART[H]OC1=C2OC3=C(C(O[H])=C(C(O[H])=C3C(=O)C2=C(O[H])C([H])=C1[H])C([H])([H])C([H])=C(C([H])([H])[H])C([H])([H])[H])C([H])([H])C([H])=C(/C([H])([H])[H])C([H])([H])[H]
CAS No.33390-42-0
Structure
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Cross Refrence in other databases
Super Natural   -
CTD   -
HIT   -
NCI-60 GI50 data   -
Suppliers ABI Chem, ChemFrog, Therapeutic Targets Database, 
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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