NPACT- Naturally occuring Plant based Anticancerous Compound-Activity-Target DataBase
a
CompoundChromomycin
NPACT-IdNPACT00418
IUPAC5,7-dihydroxy-2-phenylchromen-4-one
Synonymschromomycin a3; Toyomycin
PubChem Id5351560
ClassCarbohydrates
In-vitro anticancer activity 1 cancer cell lines
In-Vivo anticancer activity No
TargetsNo targets found
Properties Physical   Elemental  Topological
InChi KeyZYVSOIYQKUDENJ-MNGCYDFMSA-N
InChi1S/C57H82O26/c1-21-34(79-40-19-37(53(26(6)75-40)77-28(8)59)82-38-16-33(61)52(70-11)25(5)74-38)15-31-13-30-14-32(54(71-12)51(68)46(63)22(2)58)55(50(67)44(30)49(66)43(31)45(21)62)83-41-18-35(47(64)24(4)73-41)80-39-17-36(48(65)23(3)72-39)81-42-20-57(10,69)56
SMILESO([C@H]1C[C@@H](O[C@H]2C[C@@H](O[C@H]3[C@@H](Cc4c(C3=O)c(O)c3c(c4)cc(O[C@H]4O[C@H]([C@H](OC(=O)C)[C@H](O[C@@H]5O[C@@H]([C@@H](OC)[C@H](O)C5)C)C4)C)c(c3O)C)[C@H](OC)C(=O)[C@@H](O)[C@H](O)C)O[C@H]([C@@H]2O)C)O[C@H]([C@@H]1O)C)[C@H]1O[C@H]([C@H](OC(=O)C)[C@@](O)(C1)C)C
SMART[H]OC1=C2C(O[H])=C(C(O[C@@]3([H])O[C@@]([H])(C([H])([H])[H])[C@]([H])(OC(=O)C([H])([H])[H])[C@]([H])(O[C@]4([H])O[C@]([H])(C([H])([H])[H])[C@@]([H])(OC([H])([H])[H])[C@]([H])(O[H])C4([H])[H])C3([H])[H])=C([H])C2=C([H])C2=C1C(=O)[C@@]([H])(O[C@@]1([H])O[C@@]([H])(C([H])([H])[H])[C@]([H])(O[H])[C@@]([H])(O[C@@]3([H])O[C@@]([H])(C([H])([H])[H])[C@]([H])(O[H])[C@@]([H])(O[C@@]4([H])O[C@@]([H])(C([H])([H])[H])[C@]([H])(OC(=O)C([H])([H])[H])[C@](O[H])(C([H])([H])[H])C4([H])[H])C3([H])[H])C1([H])[H])[C@@]([H])(C2([H])[H])[C@]([H])(OC([H])([H])[H])C(=O)[C@@]([H])(O[H])[C@]([H])(O[H])C([H])([H])[H])C([H])([H])[H]
CAS No.7059-24-7
Structure
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Cross Refrence in other databases
Super Natural   007059247
CTD   D002865
HIT   -
NCI-60 GI50 data   7059-24-7
Suppliers ABI Chem, Ambinter, Calbiochem, 
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.