NPACT- Naturally occuring Plant based Anticancerous Compound-Activity-Target DataBase
CompoundVincristine
NPACT-IdNPACT01007
IUPAC-
Synonyms22-Oxovincaleukoblastine; Leurocristine; Vincrystine; Onco TCS; Vinkristin; Indole alkaloid; Oncovin; Vincristina; Vincristinum; Vincrstine; Marqibo; Oncovine; Vincasar; Liposomal Vincristine; Vincaleukoblastine, 22-oxo- 22-Oxovincaleukoblastine
PubChem Id5978
ClassAlkaloids
In-vitro anticancer activity 16 cancer cell lines
In-Vivo anticancer activity No
TargetsMAPK8 | NFKB1 |   All | 
Properties Physical   Elemental  Topological
InChi KeyOGWKCGZFUXNPDA-XQKSVPLYSA-N
InChi1S/C46H56N4O10/c1-7-42(55)22-28-23-45(40(53)58-5,36-30(14-18-48(24-28)25-42)29-12-9-10-13-33(29)47-36)32-20-31-34(21-35(32)57-4)50(26-51)38-44(31)16-19-49-17-11-15-43(8-2,37(44)49)39(60-27(3)52)46(38,56)41(54)59-6/h9-13,15,20-21,26,28,37-39,47,55-56H,7-8,
SMILESO([C@@H]1[C@]2([C@@H]3N(CC[C@@]43[C@@H](N(c3c4cc(c(OC)c3)[C@]3(C[C@H]4C[C@](O)(CN(C4)CCc4c3[nH]c3c4cccc3)CC)C(=O)OC)C=O)[C@@]1(O)C(=O)OC)CC=C2)CC)C(=O)C
SMART[H]O[C@]1(C([H])([H])C([H])([H])[H])C([H])([H])[N@]2C([H])([H])[C@]([H])(C1([H])[H])C([H])([H])[C@@](C(=O)OC([H])([H])[H])(C1=C(C3=C([H])C([H])=C([H])C([H])=C3N1[H])C([H])([H])C2([H])[H])C1=C(OC([H])([H])[H])C([H])=C2N(C([H])=O)[C@]3([H])[C@@]4(C2=C1[H])C([H])([H])C([H])([H])[N@]1C([H])([H])C([H])=C([H])[C@](C([H])([H])C([H])([H])[H])([C@@]41[H])[C@@]([H])(OC(=O)C([H])([H])[H])[C@]3(O[H])C(=O)OC([H])([H])[H]
CAS No.57-22-7
Structure
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Cross Refrence in other databases
Super Natural   000057227
CTD   D014750
HIT   -
NCI-60 GI50 data   -
Suppliers ABI Chem, ChemMol, Therapeutic Targets Database, 
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.