NPACT- Naturally occuring Plant based Anticancerous Compound-Activity-Target DataBase
a
Compound(2S)-2'-methoxykurarinone
NPACT-IdNPACT01047
IUPAC-
Synonyms(2S)-7,4'-Dihydroxy-8-lavandulyl-5,2'-dimethoxyflavanone
PubChem Id11982641
ClassFlavonoid
In-vitro anticancer activity 1 cancer cell lines
In-Vivo anticancer activity No
TargetsNo targets found
Properties Physical   Elemental  Topological
InChi KeyKTAQQSUPNZAWEY-OSPHWJPCSA-N
InChi1S/C27H32O6/c1-15(2)7-8-17(16(3)4)11-20-21(29)13-25(32-6)26-22(30)14-24(33-27(20)26)19-10-9-18(28)12-23(19)31-5/h7,9-10,12-13,17,24,28-29H,3,8,11,14H2,1-2,4-6H3/t17-,24+/m1/s1
SMILESO1[C@@H](CC(=O)c2c1c(C[C@@H](CC=C(C)C)C(=C)C)c(O)cc2OC)c1c(OC)cc(O)cc1
SMART[H]OC1=C([H])C(OC([H])([H])[H])=C(C([H])=C1[H])[C@@]1([H])OC2=C(C(OC([H])([H])[H])=C([H])C(O[H])=C2C([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])C(=O)C1([H])[H]
CAS No.-
Structure
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Cross Refrence in other databases
Super Natural   -
CTD   C411318
HIT   -
NCI-60 GI50 data   -
Suppliers Therapeutic Targets Database, 
Drug-Likeliness Filters Lipinski's rule of five   No
Ghose filter   Yes
Veber filter   Yes
Muegge Filter   No
Similarity SearchHuman metabolite databaseFDA approved drugs

 






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