NPACT- Naturally occuring Plant based Anticancerous Compound-Activity-Target DataBase
CompoundTaxumairol Q
NPACT-IdNPACT01344
IUPAC-
Synonyms(2aR,4S,4aS,5R,6R,8S,9aS,10S,10bS)-4,5,6,8-tetrahydroxy-9a-(1-hydroxy-1-methylethyl)-4a,7-dimethyl-3,4,4a,5,6,8,9,9a,10,10a-decahydro-1H-azuleno[5',6':3,4]benzo[1,2-b]oxete-10,10b(2aH)-diyl reldi-acet;1H-azuleno[5',6':3,4]benz[1,2-b]oxete-4,5,6,8,10,10b(2aH)-hexol, 3,4,4a,5,6,8,9,9a,10,10a-decahydro-9a-(1-hydroxy-1-methylethyl)-4a,7-dimethyl-, 10,10b-diacetate, (2aR,4S,4aS,5R,6R,8S,9aS,10S,10bS)-;
PubChem Id637469
ClassTerpenoids
In-vitro anticancer activtiy 2 cancer cell lines
In-Vivo anticancer activtiy No
TargetsNo targets found
Properties Physical   Elemental  Topological
InChi KeyTVMSZRKICIOFTN-XQONWTRDSA-N
InChi1S/C24H36O10/c1-10-13(27)8-23(21(4,5)31)16(10)17(29)19(30)22(6)14(28)7-15-24(9-32-15,34-12(3)26)18(22)20(23)33-11(2)25/h13-15,17-20,27-31H,7-9H2,1-6H3/t13-,14-,15+,17+,18-,19-,20-,22+,23-,24-/m0/s1
SMILESO1[C@H]2[C@](OC(=O)C)([C@@H]3[C@@]([C@@H](O)C2)([C@@H](O)[C@H](O)C2=C([C@@H](O)C[C@]2([C@H]3OC(=O)C)C(O)(C)C)C)C)C1
SMART[H]O[C@]1([H])C(=C2[C@@]([H])(O[H])[C@]([H])(O[H])[C@]3(C([H])([H])[H])[C@@]([H])(O[H])C([H])([H])[C@@]4([H])OC([H])([H])[C@@]4(OC(=O)C([H])([H])[H])[C@@]3([H])[C@]([H])(OC(=O)C([H])([H])[H])[C@@]2(C1([H])[H])[C@@](O[H])(C([H])([H])[H])C([H])([H])[H])C([H])([H])[H]
CAS No.-
Structure
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Cross Refrence in other databases
Super Natural   -
CTD   -
HIT   -
NCI-60 GI50 data   -
Suppliers ABI Chem, 
Drug-Likeliness Filters Lipinski's rule of five   Yes
Ghose filter   No
Veber filter   No
Muegge Filter   No
Similarity SearchHuman metabolite databaseFDA approved drugs

 






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