NPACT- Naturally occuring Plant based Anticancerous Compound-Activity-Target DataBase
a
Compound5-hydroxysophoranone
NPACT-IdNPACT00176
IUPAC5,7-dihydroxy-2-[4-hydroxy-3,5-bis(3-methylbut-2-enyl)phenyl]-8-(3-methylbut-2-enyl)-2,3-dihydrochromen-4-one
SynonymsHydroxysophoranone;LMPK12140282
PubChem Id42607927
ClassFlavonoid
In-vitro anticancer activity 3 cancer cell lines
In-Vivo anticancer activity No
TargetsNo targets found
Properties Physical   Elemental  Topological
InChi KeyABQFAJSGVWQVGF-UHFFFAOYSA-N
InChi1S/C30H36O5/c1-17(2)7-10-20-13-22(14-21(29(20)34)11-8-18(3)4)27-16-26(33)28-25(32)15-24(31)23(30(28)35-27)12-9-19(5)6/h7-9,13-15,27,31-32,34H,10-12,16H2,1-6H3
SMILESO1[C@H](CC(=O)c2c1c(CC=C(C)C)c(O)cc2O)c1cc(c(O)c(c1)CC=C(C)C)CC=C(C)C
SMART[H]OC1=C([H])C(O[H])=C2C(O[C@@]([H])(C3=C([H])C(=C(O[H])C(=C3[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])C([H])([H])C2=O)=C1C([H])([H])C([H])=C(/C([H])([H])[H])C([H])([H])[H]
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   No
Ghose filter   No
Veber filter   Yes
Muegge Filter   No
Similarity SearchHuman metabolite databaseFDA approved drugs

 






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