NPACT- Naturally occuring Plant based Anticancerous Compound-Activity-Target DataBase
a
CompoundSophoraflavanone G
NPACT-IdNPACT01320
IUPAC-
SynonymsSophoraflavanone G;(2S)-2-(2,4-dihydroxyphenyl)-5,7-dihydroxy-8-[(2R)-5-methyl-2-(prop-1-en-2-yl)hex-4-en-1-yl]-2,3-dihydro-4H-chromen-4-one;4H-1-Benzopyran-4-one, 2,3-dihydro-5,7-dihydroxy-2-(2,4-dihydroxyphenyl)-8-(5-methyl-2-(1-methylethenyl)-4-hexenyl)-, (S-(R*,S*))-;
PubChem Id72936
ClassFlavonoid
In-vitro anticancer activity 1 cancer cell lines
In-Vivo anticancer activity No
TargetsNo targets found
Properties Physical   Elemental  Topological
InChi KeyXRYVAQQLDYTHCL-CMJOXMDJSA-N
InChi1S/C25H28O6/c1-13(2)5-6-15(14(3)4)9-18-20(28)11-21(29)24-22(30)12-23(31-25(18)24)17-8-7-16(26)10-19(17)27/h5,7-8,10-11,15,23,26-29H,3,6,9,12H2,1-2,4H3/t15-,23+/m1/s1
SMILESO1c2c(C[C@@H](CC=C(C)C)C(=C)C)c(O)cc(O)c2C(=O)C[C@H]1c1c(O)cc(O)cc1
SMART[H]OC1=C([H])C(O[H])=C(C([H])=C1[H])[C@@]1([H])OC2=C(C(O[H])=C([H])C(O[H])=C2C(=O)C1([H])[H])C([H])([H])[C@]([H])(C(=C([H])[H])C([H])([H])[H])C([H])([H])C([H])=C(C([H])([H])[H])C([H])([H])[H]
CAS No.97938-30-2
Structure
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Cross Refrence in other databases
Super Natural   -
CTD   C064849
HIT   -
NCI-60 GI50 data   -
Suppliers AAA Chemistry, ABI Chem, Kingston Chemistry, Therapeutic Targets Database, ZINC, 
Drug-Likeliness Filters Lipinski's rule of five   No
Ghose filter   No
Veber filter   Yes
Muegge Filter   No
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