NPACT- Naturally occuring Plant based Anticancerous Compound-Activity-Target DataBase
Compound4',5'-Dihydro-11,5'-dihydroxy-4'-methoxytephrosin
NPACT-IdNPACT01088
IUPAC-
Synonyms-
PubChem Id11762505
ClassFlavonoid
In-vitro anticancer activity 1 cancer cell lines
In-Vivo anticancer activity No
TargetsNQO1 |   All | 
Properties Physical   Elemental  Topological
InChi KeyRTUABMSWXKMPKI-JIEJDMOWSA-N
InChi1S/C24H26O10/c1-23(2)22(27)20(31-5)18-15(34-23)7-11(25)17-19(18)33-16-9-32-12-8-14(30-4)13(29-3)6-10(12)24(16,28)21(17)26/h6-8,16,20,22,25,27-28H,9H2,1-5H3/t16-,20?,22?,24-/m1/s1
SMILESO1[C@H]2[C@@](O)(C(=O)c3c1c1C(OC)C(O)C(Oc1cc3O)(C)C)c1c(OC2)cc(OC)c(OC)c1
SMART[H]OC1=C([H])C2=C(C3=C1C(=O)[C@@]1(O[H])C4=C([H])C(OC([H])([H])[H])=C(OC([H])([H])[H])C([H])=C4OC([H])([H])[C@@]1([H])O3)[C@@]([H])(OC([H])([H])[H])[C@]([H])(O[H])[C@](O2)(C([H])([H])[H])C([H])([H])[H]
CAS No.-
Structure
Download

Cross Refrence in other databases
Super Natural   -
CTD   C481560
HIT   -
NCI-60 GI50 data   -
Suppliers NA, 
Drug-Likeliness Filters Lipinski's rule of five   Yes
Ghose filter   Yes
Veber filter   Yes
Muegge Filter   Yes
Similarity SearchHuman metabolite databaseFDA approved drugs

 






Copyright © 2012. Subhash M. Agagrwal. All Rights Reserved.