NPACT- Naturally occuring Plant based Anticancerous Compound-Activity-Target DataBase
a
CompoundAnthocyanin 1
NPACT-IdNPACT00268
IUPAC-
SynonymsAnemone blue anthocyanin 1
PubChem Id11979368
ClassFlavonoid
In-vitro anticancer activity 5 cancer cell lines
In-Vivo anticancer activity No
TargetsNo targets found
Properties Physical   Elemental  Topological
InChi KeyDMJFLJSLHRVCBA-YGQRQUBESA-O
InChi1S/C57H60O34/c58-16-33-40(70)45(75)52(91-57-51(44(74)39(69)34(17-59)87-57)89-37(67)8-4-20-2-6-25(61)28(64)10-20)56(86-33)85-32-15-23-26(62)13-22(82-54-47(77)42(72)41(71)35(88-54)18-81-36(66)7-3-19-1-5-24(60)27(63)9-19)14-30(23)83-49(32)21-11-29(65)38(68)3
SMILESO([C@@H]1[C@@H](O)[C@@H](O)[C@H](O[C@H]1Oc1c([o+]c2c(c1)c(O)cc(O[C@@H]1O[C@@H]([C@@H](O)[C@H](O)[C@H]1O)COC(=O)/C=C/c1cc(O)c(O)cc1)c2)c1cc(O[C@@H]2O[C@@H]([C@@H](O)[C@H](O)[C@H]2O)C(=O)O)c(O)c(O)c1)CO)[C@@H]1O[C@@H]([C@@H](O)[C@H](O)[C@H]1OC(=O)/C=C/c1cc(O)c(O)cc1)CO
SMART[H]OC(=O)[C@@]1([H])O[C@@]([H])(OC2=C([H])C(=C([H])C(O[H])=C2O[H])C2=[O+]C3=C([H])C(O[C@]4([H])O[C@]([H])(C([H])([H])OC(=O)C([H])=C(/[H])C5=C([H])C(O[H])=C(O[H])C([H])=C5[H])[C@@]([H])(O[H])[C@]([H])(O[H])[C@@]4([H])O[H])=C([H])C(O[H])=C3C([H])=C2O[C@]2([H])O[C@]([H])(C([H])([H])O[H])[C@]([H])(O[H])[C@]([H])(O[H])[C@@]2([H])O[C@]2([H])O[C@]([H])(C([H])([H])O[H])[C@@]([H])(O[H])[C@]([H])(O[H])[C@@]2([H])OC(=O)C([H])=C(/[H])C2=C([H])C(O[H])=C(O[H])C([H])=C2[H])[C@]([H])(O[H])[C@@]([H])(O[H])[C@]1([H])O[H]
CAS No.-
Structure
Download

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   No
Muegge Filter   No
Similarity SearchHuman metabolite databaseFDA approved drugs

 






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