NPACT- Naturally occuring Plant based Anticancerous Compound-Activity-Target DataBase
a
CompoundToosendanal
NPACT-IdNPACT00982
IUPAC-
Synonymsbeta(R), 5-alpha,7-alpha,12-alpha,13-alpha,14-beta,15-beta,17-alpha)-
PubChem Id115060
ClassTerpenoids
In-vitro anticancer activity 1 cancer cell lines
In-Vivo anticancer activity No
TargetsNo targets found
Properties Physical   Elemental  Topological
InChi KeyNAHTXVIXCMUDLF-SLWGVJJJSA-N
InChi1S/C30H38O11/c1-13(31)39-20-10-19(34)29-12-38-25(36)26(20,3)17(29)9-18(33)28(5)23(29)22(35)24(40-14(2)32)27(4)16(15-6-7-37-11-15)8-21-30(27,28)41-21/h6-7,11,16-21,23-25,33-34,36H,8-10,12H2,1-5H3/t16-,17-,18+,19-,20+,21+,23-,24-,25+,26?,27+,28+,29+,30+/m0/
SMILESO1[C@@]23[C@]4([C@@H]([C@]56[C@@H](C[C@H]4O)[C@]([C@H](OC(=O)C)C[C@@H]5O)([C@@H](OC6)O)C)C(=O)[C@H](OC(=O)C)[C@]2([C@@H](C[C@@H]13)c1ccoc1)C)C
SMART[H]O[C@]1([H])OC([H])([H])[C@]23[C@@]([H])(O[H])C([H])([H])[C@@]([H])(OC(=O)C([H])([H])[H])[C@@]1(C([H])([H])[H])[C@]2([H])C([H])([H])[C@@]([H])(O[H])[C@]1(C([H])([H])[H])[C@]3([H])C(=O)[C@]([H])(OC(=O)C([H])([H])[H])[C@@]2(C([H])([H])[H])[C@]([H])(C3=C([H])OC([H])=C3[H])C([H])([H])[C@@]3([H])O[C@@]123
CAS No.58812-37-6
Structure
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Cross Refrence in other databases
Super Natural   -
CTD   -
HIT   -
NCI-60 GI50 data   -
Suppliers AAA Chemistry, ABI Chem, ChemMol, IS Chemical Technology, Kingston Chemistry, 
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